(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid

C4H7NO4 — CID 176760307

IUPAC(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid
SMILES[2H][C@](N)(COC=O)C(=O)O
InChIInChI=1S/C4H7NO4/c5-3(4(7)8)1-9-2-6/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1/i3D
InChIKeyNZOTULKBRHRNQN-YJTYNXSBSA-N
MW134.11 g/mol
LogP-1.43
Rot. Bonds4

About (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid

(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid (PubChem CID 176760307) has the molecular formula C4H7NO4 and a molecular weight of 134.11 g/mol. Its IUPAC name is (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid
PubChem CID176760307
Molecular FormulaC4H7NO4
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid
SMILES[2H][C@](N)(COC=O)C(=O)O
InChIInChI=1S/C4H7NO4/c5-3(4(7)8)1-9-2-6/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1/i3D
InChIKeyNZOTULKBRHRNQN-YJTYNXSBSA-N
XLogP-1.43
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-amino-2-deuterio-3-formyloxypropanoic 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)-2-amino-2-deuterio-3-formyloxypropanoic acid?
The IUPAC name of (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid (CID 176760307) is (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid?
The canonical SMILES for (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid is [2H][C@](N)(COC=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid?
The InChIKey is NZOTULKBRHRNQN-YJTYNXSBSA-N. The full InChI is InChI=1S/C4H7NO4/c5-3(4(7)8)1-9-2-6/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1/i3D.
What are the key properties of (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid?
(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid has a molecular weight of 134.11 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-deuterio-3-formyloxypropanoic acid is sourced from PubChem (CID 176760307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).