(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid

C15H18N4O5 — CID 120614136

IUPAC(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)O
InChIInChI=1S/C15H18N4O5/c1-3-4-5-10(14(22)23)17-12(20)8-6-9-11(16-7-8)19(2)15(24)18-13(9)21/h6-7,10H,3-5H2,1-2H3,(H,17,20)(H,22,23)(H,18,21,24)/t10-/m0/s1
InChIKeyNDVZQYZUSMWGTI-JTQLQIEISA-N
MW334.33 g/mol
LogP-0.00
Rot. Bonds6

About (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid

(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid (PubChem CID 120614136) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
PubChem CID120614136
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)O
InChIInChI=1S/C15H18N4O5/c1-3-4-5-10(14(22)23)17-12(20)8-6-9-11(16-7-8)19(2)15(24)18-13(9)21/h6-7,10H,3-5H2,1-2H3,(H,17,20)(H,22,23)(H,18,21,24)/t10-/m0/s1
InChIKeyNDVZQYZUSMWGTI-JTQLQIEISA-N
XLogP-0.00
TPSA134.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561
1-ethyl-2,4-dioxo-N-(1-phenylbutyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 42943182
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119
2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 134047991
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]hexanoic acid
CID 43387014
1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552138
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid
CID 137119720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid (CID 120614136) is (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
The InChIKey is NDVZQYZUSMWGTI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O5/c1-3-4-5-10(14(22)23)17-12(20)8-6-9-11(16-7-8)19(2)15(24)18-13(9)21/h6-7,10H,3-5H2,1-2H3,(H,17,20)(H,22,23)(H,18,21,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
(2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid has a molecular weight of 334.33 g/mol, XLogP of -0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120614136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).