methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate

C15H20N2O4 — CID 61213741

IUPACmethyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2CC(OC)CN2)c1
InChIInChI=1S/C15H20N2O4/c1-9-4-5-10(15(19)21-3)6-12(9)17-14(18)13-7-11(20-2)8-16-13/h4-6,11,13,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyGMGZWDQQXHNEJK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.10
Rot. Bonds4

About methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate

methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate (PubChem CID 61213741) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
PubChem CID61213741
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2CC(OC)CN2)c1
InChIInChI=1S/C15H20N2O4/c1-9-4-5-10(15(19)21-3)6-12(9)17-14(18)13-7-11(20-2)8-16-13/h4-6,11,13,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyGMGZWDQQXHNEJK-UHFFFAOYSA-N
XLogP1.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate 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

4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327667
N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 103832911
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
methyl 4-fluoro-3-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoate
CID 43703157
N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214476
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274724
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate (CID 61213741) is methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)C2CC(OC)CN2)c1.
What is the InChIKey of methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate?
The InChIKey is GMGZWDQQXHNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-4-5-10(15(19)21-3)6-12(9)17-14(18)13-7-11(20-2)8-16-13/h4-6,11,13,16H,7-8H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate?
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate has a molecular weight of 292.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate is sourced from PubChem (CID 61213741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).