(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid

C4H9NO3 — CID 165359351

IUPAC(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid
SMILES[2H][C@H](O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/i2D/t2-,3-
InChIKeyUKAUYVFTDYCKQA-YGDZGWHNSA-N
MW120.13 g/mol
LogP-1.22
Rot. Bonds3

About (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid

(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid (PubChem CID 165359351) has the molecular formula C4H9NO3 and a molecular weight of 120.13 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid
PubChem CID165359351
Molecular FormulaC4H9NO3
Molecular Weight120.13 g/mol
Exact Mass120.06
IUPAC Name(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid
SMILES[2H][C@H](O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/i2D/t2-,3-
InChIKeyUKAUYVFTDYCKQA-YGDZGWHNSA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic 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

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4,4-dideuteriopentanoic acid
CID 158119315
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
CID 169441451
2-amino-4,4,5,5,5-pentadeuteriopentanoic acid
CID 171036198
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
(2S)-2,6-diamino-5-deuteriohexanoic acid
CID 175781409
(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
CID 177277676
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid?
The IUPAC name of (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid (CID 165359351) is (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid?
The canonical SMILES for (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid is [2H][C@H](O)C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid?
The InChIKey is UKAUYVFTDYCKQA-YGDZGWHNSA-N. The full InChI is InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/i2D/t2-,3-.
What are the key properties of (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid?
(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid has a molecular weight of 120.13 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid is sourced from PubChem (CID 165359351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).