methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate

C18H19N3O4 — CID 7748012

IUPACmethyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CCC3)c1
InChIInChI=1S/C18H19N3O4/c1-11-19-15-8-4-7-14(15)17(23)21(11)10-16(22)20-13-6-3-5-12(9-13)18(24)25-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,20,22)
InChIKeyVZYYPEVSYFCTCH-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.47
Rot. Bonds4

About methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate

methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate (PubChem CID 7748012) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate
PubChem CID7748012
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CCC3)c1
InChIInChI=1S/C18H19N3O4/c1-11-19-15-8-4-7-14(15)17(23)21(11)10-16(22)20-13-6-3-5-12(9-13)18(24)25-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,20,22)
InChIKeyVZYYPEVSYFCTCH-UHFFFAOYSA-N
XLogP1.47
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate 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

2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 7748031
methyl 4-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 7748372
methyl 3-[[2-[3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 119034401
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 7748671
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337
methyl (6R)-6-methyl-2-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7748080
methyl 2-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 7748375
ethyl 3-[[2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135888113
2-(4-amino-2-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl)-N-phenylacetamide
CID 11667165
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
methyl 3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]benzoate
CID 51531165

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate (CID 7748012) is methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CCC3)c1.
What is the InChIKey of methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate?
The InChIKey is VZYYPEVSYFCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-19-15-8-4-7-14(15)17(23)21(11)10-16(22)20-13-6-3-5-12(9-13)18(24)25-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,20,22).
What are the key properties of methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate?
methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate has a molecular weight of 341.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 7748012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).