(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

C9H11N3O5 — CID 54990464

IUPAC(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(8(15)16)10-6(13)2-5-3-7(14)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)/t4-/m1/s1
InChIKeyCLBRVWOVBBZILQ-SCSAIBSYSA-N
MW241.20 g/mol
LogP-1.80
Rot. Bonds4

About (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (PubChem CID 54990464) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
PubChem CID54990464
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(8(15)16)10-6(13)2-5-3-7(14)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)/t4-/m1/s1
InChIKeyCLBRVWOVBBZILQ-SCSAIBSYSA-N
XLogP-1.80
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-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 (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (CID 54990464) is (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The InChIKey is CLBRVWOVBBZILQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-4(8(15)16)10-6(13)2-5-3-7(14)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)/t4-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 54990464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).