methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate

C15H20N2O3 — CID 47340246

IUPACmethyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C15H20N2O3/c1-16(2)13-6-4-5-11(9-13)14(18)17-8-7-12(10-17)15(19)20-3/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyKXZQEZJJBLHHSL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.39
Rot. Bonds3

About methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate

methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate (PubChem CID 47340246) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
PubChem CID47340246
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C15H20N2O3/c1-16(2)13-6-4-5-11(9-13)14(18)17-8-7-12(10-17)15(19)20-3/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyKXZQEZJJBLHHSL-UHFFFAOYSA-N
XLogP1.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 50947988
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
[3-(dimethylamino)phenyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168601
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate (CID 47340246) is methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate?
The InChIKey is KXZQEZJJBLHHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(2)13-6-4-5-11(9-13)14(18)17-8-7-12(10-17)15(19)20-3/h4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate?
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 47340246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).