2-amino-3-hydroxybutanoic acid;benzene

C10H15NO3 — CID 22614376

IUPAC2-amino-3-hydroxybutanoic acid;benzene
SMILESCC(O)C(N)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO3/c1-2-4-6-5-3-1;1-2(6)3(5)4(7)8/h1-6H;2-3,6H,5H2,1H3,(H,7,8)
InChIKeyAFTPBVCSEIPCEV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-3-hydroxybutanoic acid;benzene

2-amino-3-hydroxybutanoic acid;benzene (PubChem CID 22614376) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;benzene.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;benzene
PubChem CID22614376
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-amino-3-hydroxybutanoic acid;benzene
SMILESCC(O)C(N)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO3/c1-2-4-6-5-3-1;1-2(6)3(5)4(7)8/h1-6H;2-3,6H,5H2,1H3,(H,7,8)
InChIKeyAFTPBVCSEIPCEV-UHFFFAOYSA-N
XLogP0.47
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-hydroxybutanoic acid;benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;benzene?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;benzene (CID 22614376) is 2-amino-3-hydroxybutanoic acid;benzene.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;benzene?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;benzene is CC(O)C(N)C(=O)O.c1ccccc1.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;benzene?
The InChIKey is AFTPBVCSEIPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H9NO3/c1-2-4-6-5-3-1;1-2(6)3(5)4(7)8/h1-6H;2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-hydroxybutanoic acid;benzene?
2-amino-3-hydroxybutanoic acid;benzene has a molecular weight of 197.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;benzene is sourced from PubChem (CID 22614376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).