3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid

C9H11NO3 — CID 55278123

IUPAC3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid
SMILESN[C@H](CO)c1cccc(C(=O)O)c1
InChIInChI=1S/C9H11NO3/c10-8(5-11)6-2-1-3-7(4-6)9(12)13/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
InChIKeyRCVDPFXRMRSVMV-MRVPVSSYSA-N
MW181.19 g/mol
LogP0.38
Rot. Bonds3

About 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid

3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid (PubChem CID 55278123) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid.

Molecular Properties

Compound Name3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid
PubChem CID55278123
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid
SMILESN[C@H](CO)c1cccc(C(=O)O)c1
InChIInChI=1S/C9H11NO3/c10-8(5-11)6-2-1-3-7(4-6)9(12)13/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
InChIKeyRCVDPFXRMRSVMV-MRVPVSSYSA-N
XLogP0.38
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S)-2-hydroxy-1-(methylamino)ethyl]benzoic acid
CID 55277115
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
3-(1-aminopropan-2-yl)benzoic acid
CID 55255769
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzoic acid
CID 130673379
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825
3-[amino-(3-fluorophenyl)methyl]benzoic acid
CID 116938725
3-[amino(1H-pyrrol-3-yl)methyl]benzoic acid
CID 116938715
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
N-[3-(1-amino-2-hydroxyethyl)phenyl]acetamide
CID 55296718
3-[(2R)-3-methylbutan-2-yl]benzoic acid
CID 167265147
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid?
The IUPAC name of 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid (CID 55278123) is 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid.
What is the SMILES notation for 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid?
The canonical SMILES for 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid is N[C@H](CO)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid?
The InChIKey is RCVDPFXRMRSVMV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-8(5-11)6-2-1-3-7(4-6)9(12)13/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1.
What are the key properties of 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid?
3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-2-hydroxyethyl]benzoic acid is sourced from PubChem (CID 55278123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).