3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid

C11H12FNO3 — CID 171258705

IUPAC3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid
SMILESN[C@@H](c1c(F)ccc(C(=O)O)c1O)C1CC1
InChIInChI=1S/C11H12FNO3/c12-7-4-3-6(11(15)16)10(14)8(7)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2,(H,15,16)/t9-/m1/s1
InChIKeyOGQCWULGFUOPBH-SECBINFHSA-N
MW225.22 g/mol
LogP1.64
Rot. Bonds3

About 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid

3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid (PubChem CID 171258705) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid
PubChem CID171258705
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid
SMILESN[C@@H](c1c(F)ccc(C(=O)O)c1O)C1CC1
InChIInChI=1S/C11H12FNO3/c12-7-4-3-6(11(15)16)10(14)8(7)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2,(H,15,16)/t9-/m1/s1
InChIKeyOGQCWULGFUOPBH-SECBINFHSA-N
XLogP1.64
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid
CID 171258711
2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
CID 130748681
3-[(1R)-1-aminoethyl]-4-fluoro-2-hydroxybenzoic acid;hydrochloride
CID 171258682
3-[(S)-amino(cyclobutyl)methyl]-4-bromo-2-hydroxybenzoic acid;hydrochloride
CID 171254636
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306
2-[(R)-amino(oxan-4-yl)methyl]-3,6-difluorophenol
CID 171256503
2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
CID 131448433
2-[(S)-amino(cyclobutyl)methyl]-3-hydroxy-4-methylbenzoic acid;hydrochloride
CID 171254855
2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
CID 131869097
3-[(R)-amino(cyclopropyl)methyl]-4-fluorobenzoic acid
CID 162344495
2-[(R)-amino(oxan-4-yl)methyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256855
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid (CID 171258705) is 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid is N[C@@H](c1c(F)ccc(C(=O)O)c1O)C1CC1.
What is the InChIKey of 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
The InChIKey is OGQCWULGFUOPBH-SECBINFHSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-7-4-3-6(11(15)16)10(14)8(7)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 171258705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).