(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid

C11H15N3O5 — CID 119360480

IUPAC(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1c[nH]c(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5(2)7(10(17)18)13-8(15)6-4-12-11(19)14(3)9(6)16/h4-5,7H,1-3H3,(H,12,19)(H,13,15)(H,17,18)/t7-/m0/s1
InChIKeyMYRWGFROGLINQG-ZETCQYMHSA-N
MW269.26 g/mol
LogP-1.09
Rot. Bonds4

About (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid

(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid (PubChem CID 119360480) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
PubChem CID119360480
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1c[nH]c(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5(2)7(10(17)18)13-8(15)6-4-12-11(19)14(3)9(6)16/h4-5,7H,1-3H3,(H,12,19)(H,13,15)(H,17,18)/t7-/m0/s1
InChIKeyMYRWGFROGLINQG-ZETCQYMHSA-N
XLogP-1.09
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506
3-methyl-2,4-dioxo-N-(1-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 56766080
3-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]butanoic acid
CID 119170260
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696527
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 28741107
(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119369450
(2R)-2-[(3-iodo-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119369297
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 61174306
(2S)-3-methyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]butanoic acid
CID 61136274

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid (CID 119360480) is (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid is CC(C)[C@H](NC(=O)c1c[nH]c(=O)n(C)c1=O)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid?
The InChIKey is MYRWGFROGLINQG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5(2)7(10(17)18)13-8(15)6-4-12-11(19)14(3)9(6)16/h4-5,7H,1-3H3,(H,12,19)(H,13,15)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid?
(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119360480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).