(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid

C4H9NO3 — CID 10582778

IUPAC(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid
SMILES[2H][C@](C)(O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i2D
InChIKeyAYFVYJQAPQTCCC-JGMLGXLMSA-N
MW120.13 g/mol
LogP-1.22
Rot. Bonds2

About (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid

(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid (PubChem CID 10582778) has the molecular formula C4H9NO3 and a molecular weight of 120.13 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid
PubChem CID10582778
Molecular FormulaC4H9NO3
Molecular Weight120.13 g/mol
Exact Mass120.06
IUPAC Name(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid
SMILES[2H][C@](C)(O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i2D
InChIKeyAYFVYJQAPQTCCC-JGMLGXLMSA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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,3R)-2-amino-3-deuterio-3-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

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid (CID 10582778) is (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid is [2H][C@](C)(O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid?
The InChIKey is AYFVYJQAPQTCCC-JGMLGXLMSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1/i2D.
What are the key properties of (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid?
(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid has a molecular weight of 120.13 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid is sourced from PubChem (CID 10582778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).