4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid

C13H19N3O4 — CID 60826137

IUPAC4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H19N3O4/c1-10(2)16(8-3-5-12(18)19)11(17)9-15-7-4-6-14-13(15)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyAMWQYURETMDIBR-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.35
Rot. Bonds7

About 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid

4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid (PubChem CID 60826137) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
PubChem CID60826137
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H19N3O4/c1-10(2)16(8-3-5-12(18)19)11(17)9-15-7-4-6-14-13(15)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyAMWQYURETMDIBR-UHFFFAOYSA-N
XLogP0.35
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid with MolForge

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Related Compounds

4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
4-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360045
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360866
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
2-[Butan-2-yl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54925779
3-[Cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 54926593
Methyl 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 54942069
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123386
4-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 55228025
3-[Tert-butyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 60825612
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60831769
3-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 60988512

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid (CID 60826137) is 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
The InChIKey is AMWQYURETMDIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-10(2)16(8-3-5-12(18)19)11(17)9-15-7-4-6-14-13(15)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid?
4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60826137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).