(3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide

C6H14N2O3 — CID 141014383

IUPAC(3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide
SMILESNC(=O)C[C@@H](CO)NCCO
InChIInChI=1S/C6H14N2O3/c7-6(11)3-5(4-10)8-1-2-9/h5,8-10H,1-4H2,(H2,7,11)/t5-/m0/s1
InChIKeyATERJQFYDWYDMZ-YFKPBYRVSA-N
MW162.19 g/mol
LogP-2.20
Rot. Bonds6

About (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide

(3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide (PubChem CID 141014383) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide.

Molecular Properties

Compound Name(3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide
PubChem CID141014383
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide
SMILESNC(=O)C[C@@H](CO)NCCO
InChIInChI=1S/C6H14N2O3/c7-6(11)3-5(4-10)8-1-2-9/h5,8-10H,1-4H2,(H2,7,11)/t5-/m0/s1
InChIKeyATERJQFYDWYDMZ-YFKPBYRVSA-N
XLogP-2.20
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide 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 (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide?
The IUPAC name of (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide (CID 141014383) is (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide.
What is the SMILES notation for (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide?
The canonical SMILES for (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide is NC(=O)C[C@@H](CO)NCCO.
What is the InChIKey of (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide?
The InChIKey is ATERJQFYDWYDMZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-6(11)3-5(4-10)8-1-2-9/h5,8-10H,1-4H2,(H2,7,11)/t5-/m0/s1.
What are the key properties of (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide?
(3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide has a molecular weight of 162.19 g/mol, XLogP of -2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-hydroxy-3-(2-hydroxyethylamino)butanamide is sourced from PubChem (CID 141014383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).