3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid

C14H17NO4 — CID 54926497

IUPAC3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)N(CCC(=O)O)C2CC2)cc1O
InChIInChI=1S/C14H17NO4/c1-9-2-3-10(8-12(9)16)14(19)15(11-4-5-11)7-6-13(17)18/h2-3,8,11,16H,4-7H2,1H3,(H,17,18)
InChIKeySDOCFCPXJFJHBD-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.78
Rot. Bonds5

About 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid

3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid (PubChem CID 54926497) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
PubChem CID54926497
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)N(CCC(=O)O)C2CC2)cc1O
InChIInChI=1S/C14H17NO4/c1-9-2-3-10(8-12(9)16)14(19)15(11-4-5-11)7-6-13(17)18/h2-3,8,11,16H,4-7H2,1H3,(H,17,18)
InChIKeySDOCFCPXJFJHBD-UHFFFAOYSA-N
XLogP1.78
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
3-[(4-aminobenzoyl)-cyclopropylamino]propanoic acid
CID 61161244
3-[(4-bromo-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 60845609
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710636
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropyl-4-methylbenzamide
CID 81472167
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid (CID 54926497) is 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid is Cc1ccc(C(=O)N(CCC(=O)O)C2CC2)cc1O.
What is the InChIKey of 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid?
The InChIKey is SDOCFCPXJFJHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-2-3-10(8-12(9)16)14(19)15(11-4-5-11)7-6-13(17)18/h2-3,8,11,16H,4-7H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid?
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 54926497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).