1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid

C11H10FNO3 — CID 54496453

IUPAC1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)9(14)8-5-11(8,13)10(15)16/h1-4,8H,5,13H2,(H,15,16)
InChIKeyXZLHLINABNRUKD-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.81
Rot. Bonds3

About 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid

1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 54496453) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
PubChem CID54496453
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)9(14)8-5-11(8,13)10(15)16/h1-4,8H,5,13H2,(H,15,16)
InChIKeyXZLHLINABNRUKD-UHFFFAOYSA-N
XLogP0.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(3-fluorophenyl)-(2-methylcyclopropyl)methanone
CID 65421676
trans-(1R,2R)-2-(3-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 24722440
(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114962696
(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
CID 116579350
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
CID 116604684
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
2-[1-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004495
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 152624369

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid (CID 54496453) is 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid is NC1(C(=O)O)CC1C(=O)c1cccc(F)c1.
What is the InChIKey of 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is XZLHLINABNRUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-7-3-1-2-6(4-7)9(14)8-5-11(8,13)10(15)16/h1-4,8H,5,13H2,(H,15,16).
What are the key properties of 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54496453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).