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

C14H16FNO3 — CID 63209469

IUPAC3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(CCC(=O)O)C2CC2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-9-8-10(2-5-12(9)15)14(19)16(11-3-4-11)7-6-13(17)18/h2,5,8,11H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyAJZQLPFGPPZSGF-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.21
Rot. Bonds5

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

3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid (PubChem CID 63209469) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
PubChem CID63209469
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(CCC(=O)O)C2CC2)ccc1F
InChIInChI=1S/C14H16FNO3/c1-9-8-10(2-5-12(9)15)14(19)16(11-3-4-11)7-6-13(17)18/h2,5,8,11H,3-4,6-7H2,1H3,(H,17,18)
InChIKeyAJZQLPFGPPZSGF-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
CID 63210029
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-cyclopropyl-4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213318
3-[(4-aminobenzoyl)-cyclopropylamino]propanoic acid
CID 61161244
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531
3-[(4-bromo-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 60845609

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid (CID 63209469) is 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid is Cc1cc(C(=O)N(CCC(=O)O)C2CC2)ccc1F.
What is the InChIKey of 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
The InChIKey is AJZQLPFGPPZSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9-8-10(2-5-12(9)15)14(19)16(11-3-4-11)7-6-13(17)18/h2,5,8,11H,3-4,6-7H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid?
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid has a molecular weight of 265.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 63209469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).