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

C19H19N3O5 — CID 120701077

IUPAC3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H19N3O5/c1-11-13(14-16(27-11)21-10-22(3)17(14)24)15(23)20-9-19(2,18(25)26)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,20,23)(H,25,26)
InChIKeyINAGYVODDBSBMC-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.61
Rot. Bonds5

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

3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701077) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701077
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H19N3O5/c1-11-13(14-16(27-11)21-10-22(3)17(14)24)15(23)20-9-19(2,18(25)26)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,20,23)(H,25,26)
InChIKeyINAGYVODDBSBMC-UHFFFAOYSA-N
XLogP1.61
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic 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 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120701077) is 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is INAGYVODDBSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-13(14-16(27-11)21-10-22(3)17(14)24)15(23)20-9-19(2,18(25)26)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,20,23)(H,25,26).
What are the key properties of 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 369.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).