2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid

C15H14N4O6 — CID 158332076

IUPAC2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid
SMILESCOc1ccc(C(=O)Nc2ncc(C(=O)NCC(=O)O)c(=O)[nH]2)cc1
InChIInChI=1S/C15H14N4O6/c1-25-9-4-2-8(3-5-9)12(22)18-15-17-6-10(14(24)19-15)13(23)16-7-11(20)21/h2-6H,7H2,1H3,(H,16,23)(H,20,21)(H2,17,18,19,22,24)
InChIKeyGQDBGOCWVZDHLI-UHFFFAOYSA-N
MW346.30 g/mol
LogP-0.15
Rot. Bonds6

About 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid

2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 158332076) has the molecular formula C15H14N4O6 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid
PubChem CID158332076
Molecular FormulaC15H14N4O6
Molecular Weight346.30 g/mol
Exact Mass346.09
IUPAC Name2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid
SMILESCOc1ccc(C(=O)Nc2ncc(C(=O)NCC(=O)O)c(=O)[nH]2)cc1
InChIInChI=1S/C15H14N4O6/c1-25-9-4-2-8(3-5-9)12(22)18-15-17-6-10(14(24)19-15)13(23)16-7-11(20)21/h2-6H,7H2,1H3,(H,16,23)(H,20,21)(H2,17,18,19,22,24)
InChIKeyGQDBGOCWVZDHLI-UHFFFAOYSA-N
XLogP-0.15
TPSA150.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic 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

benzene;3-[[5-[(4-methoxyphenyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 145057831
3-[[5-[bis(4-methoxyphenyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 121272870
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid
CID 110452010
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate
CID 154773914
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
CID 66812668
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571597
4-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752921
N-(2,4-dioxo-1H-pyrimidin-6-yl)-4-methoxybenzamide
CID 3367770

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid (CID 158332076) is 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid is COc1ccc(C(=O)Nc2ncc(C(=O)NCC(=O)O)c(=O)[nH]2)cc1.
What is the InChIKey of 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is GQDBGOCWVZDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6/c1-25-9-4-2-8(3-5-9)12(22)18-15-17-6-10(14(24)19-15)13(23)16-7-11(20)21/h2-6H,7H2,1H3,(H,16,23)(H,20,21)(H2,17,18,19,22,24).
What are the key properties of 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid?
2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 346.30 g/mol, XLogP of -0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxybenzoyl)amino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 158332076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).