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

C10H13NO4 — CID 66514499

IUPAC2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid
SMILESN[C@H](CO)c1cccc(CC(=O)O)c1O
InChIInChI=1S/C10H13NO4/c11-8(5-12)7-3-1-2-6(10(7)15)4-9(13)14/h1-3,8,12,15H,4-5,11H2,(H,13,14)/t8-/m1/s1
InChIKeyOIJWEQKIKBIITE-MRVPVSSYSA-N
MW211.22 g/mol
LogP0.01
Rot. Bonds4

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

2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid (PubChem CID 66514499) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid
PubChem CID66514499
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid
SMILESN[C@H](CO)c1cccc(CC(=O)O)c1O
InChIInChI=1S/C10H13NO4/c11-8(5-12)7-3-1-2-6(10(7)15)4-9(13)14/h1-3,8,12,15H,4-5,11H2,(H,13,14)/t8-/m1/s1
InChIKeyOIJWEQKIKBIITE-MRVPVSSYSA-N
XLogP0.01
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic 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

2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid
CID 66516952
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-[4-[(1S)-1-amino-2-hydroxyethyl]-3-hydroxyphenyl]acetic acid
CID 66514515
2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
CID 66516484
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzoic acid
CID 66514170
3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
CID 130141983

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid (CID 66514499) is 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid is N[C@H](CO)c1cccc(CC(=O)O)c1O.
What is the InChIKey of 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid?
The InChIKey is OIJWEQKIKBIITE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO4/c11-8(5-12)7-3-1-2-6(10(7)15)4-9(13)14/h1-3,8,12,15H,4-5,11H2,(H,13,14)/t8-/m1/s1.
What are the key properties of 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid?
2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid is sourced from PubChem (CID 66514499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).