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CAS 1190392-70-1 2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid molecular structure lightbox
CAS RN: 1190392-70-1

2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid

  • Product code: SSC-019500
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1190392-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190392-70-1 / 2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid

2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid | (3-Methyl-2-oxo-1-imidazolidinyl)acetic acid | MFCD16807532

Standard CAS: 1190392-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190392-70-1
Multi CAS
No
Molecular Formula
C6H10N2O3
Molecular Weight
158.160000
Exact Mass
158.069142
SMILES
CN1CCN(C1=O)CC(=O)O
InChI
InChI=1S/C6H10N2O3/c1-7-2-3-8(6(7)11)4-5(9)10/h2-4H2,1H3,(H,9,10)
InChIKey
KKNMJKWRSCHLGL-UHFFFAOYSA-N
Synonyms
2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid (3-Methyl-2-oxo-1-imidazolidinyl)acetic acid MFCD16807532 SCHEMBL907413 AKOS011780107

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.23
TPSA
60.85

LogP / Solubility

WLOGP
-0.56
MLOGP
-0.5
XLogP3
-0.9
Consensus LogP
-0.65
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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