2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid

C11H15N3O5 — CID 43618667

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-3-4-11(2,9(17)18)14-8(16)6-5-7(15)13-10(19)12-6/h5H,3-4H2,1-2H3,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyFOJWSDCEUIDUNL-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.56
Rot. Bonds5

About 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 43618667) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid
PubChem CID43618667
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-3-4-11(2,9(17)18)14-8(16)6-5-7(15)13-10(19)12-6/h5H,3-4H2,1-2H3,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyFOJWSDCEUIDUNL-UHFFFAOYSA-N
XLogP-0.56
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 44383690
1-[(2,6-Dioxo3h-pyrimidine-4-carbonyl)amino]cyclohexane-1-carboxylic
CID 24703433
Orotyl-leucine
CID 28194900
Orotyl-leucyl-leucine
CID 129689359
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-3-methylpentanoic acid
CID 24693148
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-4-methylpentanoic acid
CID 24700673
(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
CID 175798322
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylpentanoic acid
CID 28178335
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 28194898
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 43341270
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618829

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid (CID 43618667) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is FOJWSDCEUIDUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-4-11(2,9(17)18)14-8(16)6-5-7(15)13-10(19)12-6/h5H,3-4H2,1-2H3,(H,14,16)(H,17,18)(H2,12,13,15,19).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 43618667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).