5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid

C12H17N3O5 — CID 82682929

IUPAC5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-8(2-3-11(18)19)6-13-10(17)7-15-5-4-9(16)14-12(15)20/h4-5,8H,2-3,6-7H2,1H3,(H,13,17)(H,18,19)(H,14,16,20)
InChIKeyZQPLQMBGGKLYDU-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.85
Rot. Bonds7

About 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid

5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 82682929) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
PubChem CID82682929
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c1-8(2-3-11(18)19)6-13-10(17)7-15-5-4-9(16)14-12(15)20/h4-5,8H,2-3,6-7H2,1H3,(H,13,17)(H,18,19)(H,14,16,20)
InChIKeyZQPLQMBGGKLYDU-UHFFFAOYSA-N
XLogP-0.85
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
4-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoylamino]butanoic acid;formic acid
CID 172564715
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 113264415
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311878
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 119608805

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid (CID 82682929) is 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is ZQPLQMBGGKLYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-8(2-3-11(18)19)6-13-10(17)7-15-5-4-9(16)14-12(15)20/h4-5,8H,2-3,6-7H2,1H3,(H,13,17)(H,18,19)(H,14,16,20).
What are the key properties of 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid?
5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82682929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).