2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid

C11H13N3O5 — CID 43163002

IUPAC2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O5/c1-11(9(17)18,5-2-3-5)14-8(16)6-4-12-10(19)13-7(6)15/h4-5H,2-3H2,1H3,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyGLKQULWXVGOYAF-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.95
Rot. Bonds4

About 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 43163002) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID43163002
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O5/c1-11(9(17)18,5-2-3-5)14-8(16)6-4-12-10(19)13-7(6)15/h4-5H,2-3H2,1H3,(H,14,16)(H,17,18)(H2,12,13,15,19)
InChIKeyGLKQULWXVGOYAF-UHFFFAOYSA-N
XLogP-0.95
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
CID 175798322
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773276
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773278
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylbutanoic acid
CID 28773296
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylbutanoic acid
CID 28773298
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 28773336
2-Cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 43162986
2-Cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43172543
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 43209495
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylbutanoic acid
CID 43209499
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 43209504
1-{[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]amino}cyclopentanecarboxylic acid
CID 43341192

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid (CID 43163002) is 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid is CC(NC(=O)c1c[nH]c(=O)[nH]c1=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is GLKQULWXVGOYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-11(9(17)18,5-2-3-5)14-8(16)6-4-12-10(19)13-7(6)15/h4-5H,2-3H2,1H3,(H,14,16)(H,17,18)(H2,12,13,15,19).
What are the key properties of 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 267.24 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43163002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).