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

C19H19N3O5 — CID 119233863

IUPAC2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H19N3O5/c1-11-14(15-17(27-11)21-10-22(2)18(15)24)16(23)20-9-13(19(25)26)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,20,23)(H,25,26)
InChIKeyVSZVTPXMUPVRBK-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.51
Rot. Bonds6

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

2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 119233863) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID119233863
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H19N3O5/c1-11-14(15-17(27-11)21-10-22(2)18(15)24)16(23)20-9-13(19(25)26)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,20,23)(H,25,26)
InChIKeyVSZVTPXMUPVRBK-UHFFFAOYSA-N
XLogP1.51
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701077
N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71034289
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35809940
N-[cyclohexyl(phenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55690015
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949856
3,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55849068
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
3,6-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylbutyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 95116969
N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949886

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid (CID 119233863) is 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid is Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is VSZVTPXMUPVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-14(15-17(27-11)21-10-22(2)18(15)24)16(23)20-9-13(19(25)26)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,20,23)(H,25,26).
What are the key properties of 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 369.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119233863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).