2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid

C21H22N2O4 — CID 119213741

IUPAC2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C21H22N2O4/c24-18(23-19(21(26)27)15-11-12-15)13-17(14-7-3-1-4-8-14)22-20(25)16-9-5-2-6-10-16/h1-10,15,17,19H,11-13H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyOZOOAJSBUJZPQD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.53
Rot. Bonds8

About 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid

2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid (PubChem CID 119213741) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
PubChem CID119213741
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C21H22N2O4/c24-18(23-19(21(26)27)15-11-12-15)13-17(14-7-3-1-4-8-14)22-20(25)16-9-5-2-6-10-16/h1-10,15,17,19H,11-13H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyOZOOAJSBUJZPQD-UHFFFAOYSA-N
XLogP2.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid
CID 166240795
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
(2R)-2-[[(3S)-3-benzamido-3-phenylpropanoyl]amino]pentanoic acid
CID 100650906
2-[(3-benzamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119188451
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid (CID 119213741) is 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is OZOOAJSBUJZPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-18(23-19(21(26)27)15-11-12-15)13-17(14-7-3-1-4-8-14)22-20(25)16-9-5-2-6-10-16/h1-10,15,17,19H,11-13H2,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 366.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 119213741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).