3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid

C13H14FNO4 — CID 107674735

IUPAC3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(O)cc1F)C1CC1
InChIInChI=1S/C13H14FNO4/c14-11-7-9(16)3-4-10(11)13(19)15(8-1-2-8)6-5-12(17)18/h3-4,7-8,16H,1-2,5-6H2,(H,17,18)
InChIKeySMIYWCXLTSOKHY-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.61
Rot. Bonds5

About 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid

3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid (PubChem CID 107674735) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
PubChem CID107674735
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(O)cc1F)C1CC1
InChIInChI=1S/C13H14FNO4/c14-11-7-9(16)3-4-10(11)13(19)15(8-1-2-8)6-5-12(17)18/h3-4,7-8,16H,1-2,5-6H2,(H,17,18)
InChIKeySMIYWCXLTSOKHY-UHFFFAOYSA-N
XLogP1.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
N-cyclobutyl-2-fluoro-4-hydroxy-N-(3-hydroxypropyl)benzamide
CID 102978235
N-(4-aminocyclohexyl)-2-fluoro-4-hydroxy-N-propylbenzamide
CID 107677171
3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
CID 60845225
3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
CID 107677270
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
3-[(4-bromo-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 60845609
3-[(4-bromo-2-chlorobenzoyl)-cyclopropylamino]propanoic acid
CID 60845778
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
N-cyclobutyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940219

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid (CID 107674735) is 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid is O=C(O)CCN(C(=O)c1ccc(O)cc1F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
The InChIKey is SMIYWCXLTSOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-11-7-9(16)3-4-10(11)13(19)15(8-1-2-8)6-5-12(17)18/h3-4,7-8,16H,1-2,5-6H2,(H,17,18).
What are the key properties of 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid?
3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid has a molecular weight of 267.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 107674735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).