3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid

C15H19N5O5 — CID 122076138

IUPAC3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O
InChIInChI=1S/C15H19N5O5/c1-8(13(22)23)7-18(2)14(24)17-9-5-10-11(16-6-9)19(3)15(25)20(4)12(10)21/h5-6,8H,7H2,1-4H3,(H,17,24)(H,22,23)
InChIKeyHYZLKENFJBJUTM-UHFFFAOYSA-N
MW349.35 g/mol
LogP-0.18
Rot. Bonds4

About 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid

3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122076138) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122076138
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Name3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O
InChIInChI=1S/C15H19N5O5/c1-8(13(22)23)7-18(2)14(24)17-9-5-10-11(16-6-9)19(3)15(25)20(4)12(10)21/h5-6,8H,7H2,1-4H3,(H,17,24)(H,22,23)
InChIKeyHYZLKENFJBJUTM-UHFFFAOYSA-N
XLogP-0.18
TPSA126.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 134009111
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
CID 119837912
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119
(2R)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 119369825
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-fluorophenyl)propanamide
CID 55457312
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,5-difluorobenzamide
CID 134009067
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55457131
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
CID 134009089
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912
N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 122076138) is 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O.
What is the InChIKey of 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is HYZLKENFJBJUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-8(13(22)23)7-18(2)14(24)17-9-5-10-11(16-6-9)19(3)15(25)20(4)12(10)21/h5-6,8H,7H2,1-4H3,(H,17,24)(H,22,23).
What are the key properties of 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid?
3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 349.35 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122076138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).