benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate

C16H22N2O3 — CID 166903939

IUPACbenzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCN(C)C(=O)CN1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-17(2)15(19)11-18-9-8-14(10-18)16(20)21-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyUVPYXOGTUAPSGP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.14
Rot. Bonds5

About benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate

benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate (PubChem CID 166903939) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
PubChem CID166903939
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namebenzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCN(C)C(=O)CN1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-17(2)15(19)11-18-9-8-14(10-18)16(20)21-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyUVPYXOGTUAPSGP-UHFFFAOYSA-N
XLogP1.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
benzyl 1-(3-phenylbutyl)piperidine-4-carboxylate
CID 142003970
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030679
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005
benzyl 1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176728132
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The IUPAC name of benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate (CID 166903939) is benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate is CN(C)C(=O)CN1CCC(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The InChIKey is UVPYXOGTUAPSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(2)15(19)11-18-9-8-14(10-18)16(20)21-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 166903939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).