![CAS 1007880-15-0 4-Pentenoic acid, 2-[(methoxycarbonyl)amino]-, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007880-15-0.gif)
CAS RN: 1007880-15-0
4-Pentenoic acid, 2-[(methoxycarbonyl)amino]-, (2S)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1007880-15-0
- Purity/Analytical Methods: >99.0%
1007880-15-0 / (2S)-2-(methoxycarbonylamino)pent-4-enoic acid
(S)-2-((METHOXYCARBONYL)AMINO)PENT-4-ENOIC ACID | MFCD30829299 | (2S)-2-(methoxycarbonylamino)pent-4-enoic acid
Basic Information
CAS
1007880-15-0
Multi CAS
Yes
Molecular Formula
C7H11NO4
Molecular Weight
173.170000
Exact Mass
173.068808
SMILES
COC(=O)N[C@@H](CC=C)C(=O)O
InChI
InChI=1S/C7H11NO4/c1-3-4-5(6(9)10)8-7(11)12-2/h3,5H,1,4H2,2H3,(H,8,11)(H,9,10)/t5-/m0/s1
InChIKey
DMMRHWMINDFCTR-YFKPBYRVSA-N
Synonyms
(S)-2-((METHOXYCARBONYL)AMINO)PENT-4-ENOIC ACID
MFCD30829299
(2S)-2-(methoxycarbonylamino)pent-4-enoic acid
(S)-2-((METHOXYCARBONYL)AMINO)PENT-4-ENOICACID
(S)-2-(methoxycarbonylamino)pent-4-enoic acid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.78
TPSA
75.63
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.7
Consensus LogP
0.46
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1007882-12-3 (S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-y molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007882-12-3.gif)
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