3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid

C14H17NO3 — CID 54926450

IUPAC3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)N(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO3/c1-10-3-2-4-11(9-10)14(18)15(12-5-6-12)8-7-13(16)17/h2-4,9,12H,5-8H2,1H3,(H,16,17)
InChIKeyCMZJOBXHLNRXKW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.07
Rot. Bonds5

About 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid

3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid (PubChem CID 54926450) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
PubChem CID54926450
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)N(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17NO3/c1-10-3-2-4-11(9-10)14(18)15(12-5-6-12)8-7-13(16)17/h2-4,9,12H,5-8H2,1H3,(H,16,17)
InChIKeyCMZJOBXHLNRXKW-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641
3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60844855
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
3-[cyclopropyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 60845413
3-[(4-aminobenzoyl)-cyclopropylamino]propanoic acid
CID 61161244

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid (CID 54926450) is 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid is Cc1cccc(C(=O)N(CCC(=O)O)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid?
The InChIKey is CMZJOBXHLNRXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-3-2-4-11(9-10)14(18)15(12-5-6-12)8-7-13(16)17/h2-4,9,12H,5-8H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid?
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 54926450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).