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

C14H18FNO3 — CID 171258711

IUPAC3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid
SMILESN[C@@H](c1c(F)ccc(C(=O)O)c1O)C1CCCCC1
InChIInChI=1S/C14H18FNO3/c15-10-7-6-9(14(18)19)13(17)11(10)12(16)8-4-2-1-3-5-8/h6-8,12,17H,1-5,16H2,(H,18,19)/t12-/m1/s1
InChIKeyUCBYPGHRMDJFRI-GFCCVEGCSA-N
MW267.30 g/mol
LogP2.81
Rot. Bonds3

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

3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid (PubChem CID 171258711) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid
PubChem CID171258711
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid
SMILESN[C@@H](c1c(F)ccc(C(=O)O)c1O)C1CCCCC1
InChIInChI=1S/C14H18FNO3/c15-10-7-6-9(14(18)19)13(17)11(10)12(16)8-4-2-1-3-5-8/h6-8,12,17H,1-5,16H2,(H,18,19)/t12-/m1/s1
InChIKeyUCBYPGHRMDJFRI-GFCCVEGCSA-N
XLogP2.81
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.81
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(cyclopropyl)methyl]-4-fluoro-2-hydroxybenzoic acid
CID 171258705
3-[(S)-amino(cyclobutyl)methyl]-4-bromo-2-hydroxybenzoic acid;hydrochloride
CID 171254636
3-[(1R)-1-aminoethyl]-4-fluoro-2-hydroxybenzoic acid;hydrochloride
CID 171258682
2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
CID 131448433
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
2-[(S)-amino(cyclobutyl)methyl]-3-hydroxy-4-methylbenzoic acid;hydrochloride
CID 171254855
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
2-[(R)-amino(cyclopropyl)methyl]-6-chloro-3-fluorophenol
CID 130748681
2-[(R)-amino(oxan-4-yl)methyl]-3,6-difluorophenol
CID 171256503
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid (CID 171258711) is 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid is N[C@@H](c1c(F)ccc(C(=O)O)c1O)C1CCCCC1.
What is the InChIKey of 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
The InChIKey is UCBYPGHRMDJFRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-10-7-6-9(14(18)19)13(17)11(10)12(16)8-4-2-1-3-5-8/h6-8,12,17H,1-5,16H2,(H,18,19)/t12-/m1/s1.
What are the key properties of 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid?
3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(cyclohexyl)methyl]-4-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 171258711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).