1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid

C12H12FNO4 — CID 107675104

IUPAC1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccc(O)cc1F
InChIInChI=1S/C12H12FNO4/c13-9-5-7(15)1-2-8(9)10(16)14-6-12(3-4-12)11(17)18/h1-2,5,15H,3-4,6H2,(H,14,16)(H,17,18)
InChIKeyYRINDOSQLJLTLY-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.13
Rot. Bonds4

About 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 107675104) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID107675104
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccc(O)cc1F
InChIInChI=1S/C12H12FNO4/c13-9-5-7(15)1-2-8(9)10(16)14-6-12(3-4-12)11(17)18/h1-2,5,15H,3-4,6H2,(H,14,16)(H,17,18)
InChIKeyYRINDOSQLJLTLY-UHFFFAOYSA-N
XLogP1.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-amino-2-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107794783
1-[[(2-fluoro-4-nitrobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449966
4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438527
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311867
2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113355644
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677045
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
1-[[(2-bromo-4-fluorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362165
1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449344
1-[[(4-chloro-3-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107998056

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 107675104) is 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1ccc(O)cc1F.
What is the InChIKey of 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YRINDOSQLJLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-9-5-7(15)1-2-8(9)10(16)14-6-12(3-4-12)11(17)18/h1-2,5,15H,3-4,6H2,(H,14,16)(H,17,18).
What are the key properties of 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107675104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).