(2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

C9H11N3O5 — CID 61151922

IUPAC(2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cccnc1=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H11N3O5/c13-5-6(8(15)16)11-7(14)4-12-3-1-2-10-9(12)17/h1-3,6,13H,4-5H2,(H,11,14)(H,15,16)/t6-/m0/s1
InChIKeyOKLNZCJWYJAEEX-LURJTMIESA-N
MW241.20 g/mol
LogP-2.19
Rot. Bonds5

About (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 61151922) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID61151922
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cccnc1=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H11N3O5/c13-5-6(8(15)16)11-7(14)4-12-3-1-2-10-9(12)17/h1-3,6,13H,4-5H2,(H,11,14)(H,15,16)/t6-/m0/s1
InChIKeyOKLNZCJWYJAEEX-LURJTMIESA-N
XLogP-2.19
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic 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)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 61151922) is (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is O=C(Cn1cccnc1=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is OKLNZCJWYJAEEX-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O5/c13-5-6(8(15)16)11-7(14)4-12-3-1-2-10-9(12)17/h1-3,6,13H,4-5H2,(H,11,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 241.20 g/mol, XLogP of -2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 61151922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).