ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate

C15H19ClN2O3 — CID 94610145

IUPACethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-5-8-13(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyXGGRWRZMIWSZOL-ZDUSSCGKSA-N
MW310.78 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate

ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate (PubChem CID 94610145) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
PubChem CID94610145
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-5-8-13(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyXGGRWRZMIWSZOL-ZDUSSCGKSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2-chlorophenyl)azepane-1-carbonyl]amino]acetate
CID 50945778
ethyl 2-[1-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 94081052
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063
(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 94196270
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
ethyl 2-[[(2R)-2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]acetate
CID 92503186
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
CID 43404889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate (CID 94610145) is ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC[C@H]1c1ccccc1Cl.
What is the InChIKey of ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The InChIKey is XGGRWRZMIWSZOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-5-8-13(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate has a molecular weight of 310.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 94610145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).