(2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid

C6H14N2O3 — CID 146672964

IUPAC(2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid
SMILESC[C@H](O)N[C@H](CCN)C(=O)O
InChIInChI=1S/C6H14N2O3/c1-4(9)8-5(2-3-7)6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)/t4-,5+/m0/s1
InChIKeyWSKLDXXLKTXXMW-CRCLSJGQSA-N
MW162.19 g/mol
LogP-1.28
Rot. Bonds5

About (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid

(2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid (PubChem CID 146672964) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid
PubChem CID146672964
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid
SMILESC[C@H](O)N[C@H](CCN)C(=O)O
InChIInChI=1S/C6H14N2O3/c1-4(9)8-5(2-3-7)6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)/t4-,5+/m0/s1
InChIKeyWSKLDXXLKTXXMW-CRCLSJGQSA-N
XLogP-1.28
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid 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 (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid?
The IUPAC name of (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid (CID 146672964) is (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid is C[C@H](O)N[C@H](CCN)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid?
The InChIKey is WSKLDXXLKTXXMW-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-4(9)8-5(2-3-7)6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)/t4-,5+/m0/s1.
What are the key properties of (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid?
(2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid has a molecular weight of 162.19 g/mol, XLogP of -1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[(1S)-1-hydroxyethyl]amino]butanoic acid is sourced from PubChem (CID 146672964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).