(2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid

C10H13N3O6 — CID 11021987

IUPAC(2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
SMILESN[C@H](Cn1ccc(=O)n(CCC(=O)O)c1=O)C(=O)O
InChIInChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m1/s1
InChIKeyCNWDQZBURPNJRN-ZCFIWIBFSA-N
MW271.23 g/mol
LogP-2.10
Rot. Bonds6

About (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid

(2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid (PubChem CID 11021987) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
PubChem CID11021987
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name(2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
SMILESN[C@H](Cn1ccc(=O)n(CCC(=O)O)c1=O)C(=O)O
InChIInChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m1/s1
InChIKeyCNWDQZBURPNJRN-ZCFIWIBFSA-N
XLogP-2.10
TPSA144.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]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-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid (CID 11021987) is (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid is N[C@H](Cn1ccc(=O)n(CCC(=O)O)c1=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
The InChIKey is CNWDQZBURPNJRN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
(2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of -2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-(2-carboxyethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid is sourced from PubChem (CID 11021987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).