2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid

C10H13NO3 — CID 55276012

IUPAC2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
SMILESCN[C@H](C)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-6(11-2)7-3-4-9(12)8(5-7)10(13)14/h3-6,11-12H,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyVOIDNTFMZMLBBF-ZCFIWIBFSA-N
MW195.22 g/mol
LogP1.37
Rot. Bonds3

About 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid

2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid (PubChem CID 55276012) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
PubChem CID55276012
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
SMILESCN[C@H](C)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-6(11-2)7-3-4-9(12)8(5-7)10(13)14/h3-6,11-12H,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyVOIDNTFMZMLBBF-ZCFIWIBFSA-N
XLogP1.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
2-fluoro-4-[(1S)-1-(methylamino)ethyl]benzoic acid
CID 131163051
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
CID 90285728
4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276325
2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
CID 139751321
5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride
CID 171250288
5-[1,3-bis(4-chlorophenyl)butyl]-2-hydroxybenzoic acid
CID 151214725
5-[(1R)-1-amino-3-methoxy-2,2-dimethyl-3-oxopropyl]-2-hydroxybenzoic acid
CID 171243556
5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
CID 171211681
5-[(1S)-1-amino-2-sulfanylethyl]-2-hydroxybenzoic acid
CID 137455023

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid (CID 55276012) is 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid is CN[C@H](C)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid?
The InChIKey is VOIDNTFMZMLBBF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(11-2)7-3-4-9(12)8(5-7)10(13)14/h3-6,11-12H,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid?
2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid is sourced from PubChem (CID 55276012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).