2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid

C14H18N2O3 — CID 61160610

IUPAC2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
SMILESCc1cc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1N
InChIInChI=1S/C14H18N2O3/c1-8-7-9(3-6-11(8)15)12(17)16-14(2,13(18)19)10-4-5-10/h3,6-7,10H,4-5,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQZPCMQSYDFSNPL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds4

About 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid

2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 61160610) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
PubChem CID61160610
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
SMILESCc1cc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1N
InChIInChI=1S/C14H18N2O3/c1-8-7-9(3-6-11(8)15)12(17)16-14(2,13(18)19)10-4-5-10/h3,6-7,10H,4-5,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQZPCMQSYDFSNPL-UHFFFAOYSA-N
XLogP1.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283788
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
(2S)-2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]propanoic acid
CID 97337373
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 75472233
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 113452810
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid
CID 113352876
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 138999557
(2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-2-(4-methylcyclohexyl)propanoic acid;hydrochloride
CID 69433167

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid (CID 61160610) is 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid is Cc1cc(C(=O)NC(C)(C(=O)O)C2CC2)ccc1N.
What is the InChIKey of 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is QZPCMQSYDFSNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-7-9(3-6-11(8)15)12(17)16-14(2,13(18)19)10-4-5-10/h3,6-7,10H,4-5,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid?
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 61160610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).