ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate

C15H20N2O3 — CID 110286155

IUPACethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)17-10-6-9-13(17)14(18)16-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyQGJIAXLTGGOJJS-ZDUSSCGKSA-N
MW276.34 g/mol
LogP1.92
Rot. Bonds4

About ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate

ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 110286155) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID110286155
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)17-10-6-9-13(17)14(18)16-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyQGJIAXLTGGOJJS-ZDUSSCGKSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
ethyl N-[(2S)-1-[(2S)-2-(benzylcarbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 53361915
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
benzyl 2-[(5-methylsulfanyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 167279546
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
CID 84576697
(2S)-N-benzyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110305940
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate (CID 110286155) is ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1.
What is the InChIKey of ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is QGJIAXLTGGOJJS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)17-10-6-9-13(17)14(18)16-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 110286155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).