methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate

C15H20N2O4 — CID 61274724

IUPACmethyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CC(OC)CN2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-12-7-13(16-9-12)14(18)17-8-10-3-5-11(6-4-10)15(19)21-2/h3-6,12-13,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyXIWFBDPRGGJTHL-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.47
Rot. Bonds5

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

methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate (PubChem CID 61274724) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
PubChem CID61274724
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CC(OC)CN2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-12-7-13(16-9-12)14(18)17-8-10-3-5-11(6-4-10)15(19)21-2/h3-6,12-13,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyXIWFBDPRGGJTHL-UHFFFAOYSA-N
XLogP0.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274532
N-[(4-cyanophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215075
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862
4-methoxy-N-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 106417108
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 106896215
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
methyl 4-[[[(1R,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carbonyl]amino]methyl]benzoate
CID 118164177
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(2S,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide;dihydrochloride
CID 128981767

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate (CID 61274724) is methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C2CC(OC)CN2)cc1.
What is the InChIKey of methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate?
The InChIKey is XIWFBDPRGGJTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-7-13(16-9-12)14(18)17-8-10-3-5-11(6-4-10)15(19)21-2/h3-6,12-13,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate?
methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate has a molecular weight of 292.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 61274724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).