(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid

C13H14N4O5 — CID 119369825

IUPAC(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O
InChIInChI=1S/C13H14N4O5/c1-6(12(20)21)15-10(18)7-4-8-9(14-5-7)16(2)13(22)17(3)11(8)19/h4-6H,1-3H3,(H,15,18)(H,20,21)/t6-/m1/s1
InChIKeyCHJRHFWNFJGZGV-ZCFIWIBFSA-N
MW306.28 g/mol
LogP-1.16
Rot. Bonds3

About (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid

(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 119369825) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
PubChem CID119369825
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O
InChIInChI=1S/C13H14N4O5/c1-6(12(20)21)15-10(18)7-4-8-9(14-5-7)16(2)13(22)17(3)11(8)19/h4-6H,1-3H3,(H,15,18)(H,20,21)/t6-/m1/s1
InChIKeyCHJRHFWNFJGZGV-ZCFIWIBFSA-N
XLogP-1.16
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119
1,3-dimethyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552128
N-[cyclopropyl(phenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 42939132
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 35252385
N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 97014371
propan-2-yl 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
CID 46552521
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517831
N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610
N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 119572796
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
CID 30599169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid (CID 119369825) is (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O.
What is the InChIKey of (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid?
The InChIKey is CHJRHFWNFJGZGV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H14N4O5/c1-6(12(20)21)15-10(18)7-4-8-9(14-5-7)16(2)13(22)17(3)11(8)19/h4-6H,1-3H3,(H,15,18)(H,20,21)/t6-/m1/s1.
What are the key properties of (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid?
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 306.28 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119369825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).