2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

C20H20N2O4 — CID 119184676

IUPAC2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C20H20N2O4/c23-18(15-12-16(15)20(25)26)22-17(11-13-7-3-1-4-8-13)19(24)21-14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyGLRJUSKKXBDSRH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.07
Rot. Bonds7

About 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119184676) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119184676
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C20H20N2O4/c23-18(15-12-16(15)20(25)26)22-17(11-13-7-3-1-4-8-13)19(24)21-14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyGLRJUSKKXBDSRH-UHFFFAOYSA-N
XLogP2.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791265
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
5-[[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexane-1,3-dicarboxylic acid
CID 11294736
(2R)-2-[[(2R)-2-methoxypropanoyl]amino]-N,3-diphenylpropanamide
CID 95617951
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-6-methyl-1-phenylmethoxyazepane-2-carboxamide
CID 67573999
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182498
N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-2-(sulfanylmethyl)butanamide
CID 87988780
N,3-diphenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119780429
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110

Frequently Asked Questions

What is the IUPAC name of 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 119184676) is 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GLRJUSKKXBDSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(15-12-16(15)20(25)26)22-17(11-13-7-3-1-4-8-13)19(24)21-14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119184676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).