4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

C11H15N3O4 — CID 43360045

IUPAC4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-13(6-2-4-10(16)17)9(15)8-14-7-3-5-12-11(14)18/h3,5,7H,2,4,6,8H2,1H3,(H,16,17)
InChIKeyDVRPQUKUQCRYDD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.43
Rot. Bonds6

About 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 43360045) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID43360045
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-13(6-2-4-10(16)17)9(15)8-14-7-3-5-12-11(14)18/h3,5,7H,2,4,6,8H2,1H3,(H,16,17)
InChIKeyDVRPQUKUQCRYDD-UHFFFAOYSA-N
XLogP-0.43
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Oxopyrimidin-1-yl)butanoic acid
CID 20116454
1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43354154
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
2-[Ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 54901216
Methyl 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 54942069
2-Methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 55008153
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
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]-propan-2-ylamino]butanoic acid
CID 60826137
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-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 43360045) is 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is DVRPQUKUQCRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13(6-2-4-10(16)17)9(15)8-14-7-3-5-12-11(14)18/h3,5,7H,2,4,6,8H2,1H3,(H,16,17).
What are the key properties of 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43360045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).