2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

C13H17N3O5 — CID 43172543

IUPAC2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCn1c(=O)ccn(CC(=O)NC(C)(C(=O)O)C2CC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-13(11(19)20,8-3-4-8)14-9(17)7-16-6-5-10(18)15(2)12(16)21/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)(H,19,20)
InChIKeyGLNCLATZCHXPOE-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.08
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43172543) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43172543
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCn1c(=O)ccn(CC(=O)NC(C)(C(=O)O)C2CC2)c1=O
InChIInChI=1S/C13H17N3O5/c1-13(11(19)20,8-3-4-8)14-9(17)7-16-6-5-10(18)15(2)12(16)21/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)(H,19,20)
InChIKeyGLNCLATZCHXPOE-UHFFFAOYSA-N
XLogP-1.08
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

Orotyl-leucine
CID 28194900
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
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 28194898
2-Cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 43162986
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43163002
1-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43169544
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
1-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43172477
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 43341270
4-Methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43353314
3-Methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43354046

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 43172543) is 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is Cn1c(=O)ccn(CC(=O)NC(C)(C(=O)O)C2CC2)c1=O.
What is the InChIKey of 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is GLNCLATZCHXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-13(11(19)20,8-3-4-8)14-9(17)7-16-6-5-10(18)15(2)12(16)21/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 295.30 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43172543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).