2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid

C13H14N4O5 — CID 120580731

IUPAC2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H14N4O5/c1-6(2)17(5-9(18)19)12(21)7-3-8-10(14-4-7)15-13(22)16-11(8)20/h3-4,6H,5H2,1-2H3,(H,18,19)(H2,14,15,16,20,22)
InChIKeyGVPBPAVJVANHNC-UHFFFAOYSA-N
MW306.28 g/mol
LogP-0.45
Rot. Bonds4

About 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid

2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 120580731) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID120580731
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C13H14N4O5/c1-6(2)17(5-9(18)19)12(21)7-3-8-10(14-4-7)15-13(22)16-11(8)20/h3-4,6H,5H2,1-2H3,(H,18,19)(H2,14,15,16,20,22)
InChIKeyGVPBPAVJVANHNC-UHFFFAOYSA-N
XLogP-0.45
TPSA136.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid with MolForge

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Related Compounds

N,N-dimethyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 47215053
N-(1H-imidazol-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 154850799
(2S)-2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]-3-methylbutanoic acid
CID 119360120
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enoic acid
CID 66966960
2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 48500610
2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetic acid
CID 115909768
6-(4-chlorobenzoyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 10542352
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
CID 79685739
6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 165416240

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid (CID 120580731) is 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is GVPBPAVJVANHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c1-6(2)17(5-9(18)19)12(21)7-3-8-10(14-4-7)15-13(22)16-11(8)20/h3-4,6H,5H2,1-2H3,(H,18,19)(H2,14,15,16,20,22).
What are the key properties of 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid?
2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 306.28 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120580731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).