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

C10H10FNO2 — CID 53276276

IUPAC1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1c1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-2-6(4-7)8-5-10(8,12)9(13)14/h1-4,8H,5,12H2,(H,13,14)
InChIKeyXAQUKPDENLMZIF-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.10
Rot. Bonds2

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

1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 53276276) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID53276276
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1c1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c11-7-3-1-2-6(4-7)8-5-10(8,12)9(13)14/h1-4,8H,5,12H2,(H,13,14)
InChIKeyXAQUKPDENLMZIF-UHFFFAOYSA-N
XLogP1.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
CID 54496453
(1S,2R,3R)-1-amino-2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carboxylic acid
CID 124857705
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 53276282
1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002465
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 95002452
2-(3-fluorophenyl)-1-propylcyclopropan-1-amine
CID 84665026

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid (CID 53276276) is 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid is NC1(C(=O)O)CC1c1cccc(F)c1.
What is the InChIKey of 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XAQUKPDENLMZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-7-3-1-2-6(4-7)8-5-10(8,12)9(13)14/h1-4,8H,5,12H2,(H,13,14).
What are the key properties of 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid?
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53276276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).