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

C14H17NO4 — CID 107823606

IUPAC(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CC1c1ccccc1
InChIInChI=1S/C14H17NO4/c16-7-6-12(14(18)19)15-13(17)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-12,16H,6-8H2,(H,15,17)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyPXXICIYSGXLSDR-HTAVTVPLSA-N
MW263.29 g/mol
LogP0.74
Rot. Bonds6

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

(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 107823606) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID107823606
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CC1c1ccccc1
InChIInChI=1S/C14H17NO4/c16-7-6-12(14(18)19)15-13(17)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-12,16H,6-8H2,(H,15,17)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyPXXICIYSGXLSDR-HTAVTVPLSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
CID 146236952
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 106355534
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 119367456
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188628
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid (CID 107823606) is (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid is O=C(N[C@H](CCO)C(=O)O)C1CC1c1ccccc1.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is PXXICIYSGXLSDR-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H17NO4/c16-7-6-12(14(18)19)15-13(17)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-12,16H,6-8H2,(H,15,17)(H,18,19)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 263.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 107823606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).