(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid

C14H17NO4 — CID 107822179

IUPAC(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
SMILESO=C(O)[C@H](CCO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO4/c16-9-6-11(12(17)18)15-13(19)14(7-8-14)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyKWVPEGUIGSSYFM-NSHDSACASA-N
MW263.29 g/mol
LogP0.67
Rot. Bonds6

About (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 107822179) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID107822179
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
SMILESO=C(O)[C@H](CCO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO4/c16-9-6-11(12(17)18)15-13(19)14(7-8-14)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyKWVPEGUIGSSYFM-NSHDSACASA-N
XLogP0.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107824796
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
CID 80751083
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2S)-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152848

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid (CID 107822179) is (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid is O=C(O)[C@H](CCO)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is KWVPEGUIGSSYFM-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO4/c16-9-6-11(12(17)18)15-13(19)14(7-8-14)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,15,19)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 263.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 107822179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).