3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid

C14H17NO4 — CID 113354364

IUPAC3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(CC2CC2)C(=O)O)c1O
InChIInChI=1S/C14H17NO4/c1-8-3-2-4-10(12(8)16)13(17)15-11(14(18)19)7-9-5-6-9/h2-4,9,11,16H,5-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyZNUOTWSCPLABGL-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.68
Rot. Bonds5

About 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid

3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid (PubChem CID 113354364) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
PubChem CID113354364
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(CC2CC2)C(=O)O)c1O
InChIInChI=1S/C14H17NO4/c1-8-3-2-4-10(12(8)16)13(17)15-11(14(18)19)7-9-5-6-9/h2-4,9,11,16H,5-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyZNUOTWSCPLABGL-UHFFFAOYSA-N
XLogP1.68
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553
3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120535785
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
2-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43094510
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide
CID 138045628
3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 112734988
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
CID 120689532
3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 136556314

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid (CID 113354364) is 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid is Cc1cccc(C(=O)NC(CC2CC2)C(=O)O)c1O.
What is the InChIKey of 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
The InChIKey is ZNUOTWSCPLABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-3-2-4-10(12(8)16)13(17)15-11(14(18)19)7-9-5-6-9/h2-4,9,11,16H,5-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 113354364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).