2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid

C13H15N3O5 — CID 119223894

IUPAC2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1c(C)oc2ncn(C)c(=O)c12)C(=O)O
InChIInChI=1S/C13H15N3O5/c1-4-7(13(19)20)15-10(17)8-6(2)21-11-9(8)12(18)16(3)5-14-11/h5,7H,4H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyUKTAIDOBCGIKDU-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.43
Rot. Bonds4

About 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid

2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid (PubChem CID 119223894) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
PubChem CID119223894
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1c(C)oc2ncn(C)c(=O)c12)C(=O)O
InChIInChI=1S/C13H15N3O5/c1-4-7(13(19)20)15-10(17)8-6(2)21-11-9(8)12(18)16(3)5-14-11/h5,7H,4H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyUKTAIDOBCGIKDU-UHFFFAOYSA-N
XLogP0.43
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid (CID 119223894) is 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid is CCC(NC(=O)c1c(C)oc2ncn(C)c(=O)c12)C(=O)O.
What is the InChIKey of 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid?
The InChIKey is UKTAIDOBCGIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-4-7(13(19)20)15-10(17)8-6(2)21-11-9(8)12(18)16(3)5-14-11/h5,7H,4H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid?
2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid has a molecular weight of 293.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119223894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).