2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid

C11H12FNO2 — CID 131869097

IUPAC2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
SMILESN[C@@H](c1ccc(F)cc1C(=O)O)C1CC1
InChIInChI=1S/C11H12FNO2/c12-7-3-4-8(9(5-7)11(14)15)10(13)6-1-2-6/h3-6,10H,1-2,13H2,(H,14,15)/t10-/m1/s1
InChIKeyJRRLUQLLGSQFEL-SNVBAGLBSA-N
MW209.22 g/mol
LogP1.93
Rot. Bonds3

About 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid

2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid (PubChem CID 131869097) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
PubChem CID131869097
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
SMILESN[C@@H](c1ccc(F)cc1C(=O)O)C1CC1
InChIInChI=1S/C11H12FNO2/c12-7-3-4-8(9(5-7)11(14)15)10(13)6-1-2-6/h3-6,10H,1-2,13H2,(H,14,15)/t10-/m1/s1
InChIKeyJRRLUQLLGSQFEL-SNVBAGLBSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-carboxy-1-cyclopropylethyl)-5-fluorobenzoic acid
CID 117383305
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid
CID 130767258
3-[(R)-amino(cyclopropyl)methyl]-4-fluorobenzoic acid
CID 162344495
(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
2-amino-2-cyclopropyl-1-(2,5-difluorophenyl)ethanone
CID 130986103
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131397243
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
(R)-cyclopropyl-(2-ethyl-5-fluorophenyl)methanamine
CID 131122532
(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171225655
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid (CID 131869097) is 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid is N[C@@H](c1ccc(F)cc1C(=O)O)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid?
The InChIKey is JRRLUQLLGSQFEL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-7-3-4-8(9(5-7)11(14)15)10(13)6-1-2-6/h3-6,10H,1-2,13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid?
2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid has a molecular weight of 209.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid is sourced from PubChem (CID 131869097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).