methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C20H27ClN2O3 — CID 93011501

IUPACmethyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O3/c1-26-20(25)17-8-5-13-23(17)18(14-9-11-15(21)12-10-14)19(24)22-16-6-3-2-4-7-16/h9-12,16-18H,2-8,13H2,1H3,(H,22,24)/t17-,18+/m1/s1
InChIKeySHWXBJPIMQICTA-MSOLQXFVSA-N
MW378.90 g/mol
LogP3.47
Rot. Bonds5

About methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 93011501) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID93011501
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Namemethyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O3/c1-26-20(25)17-8-5-13-23(17)18(14-9-11-15(21)12-10-14)19(24)22-16-6-3-2-4-7-16/h9-12,16-18H,2-8,13H2,1H3,(H,22,24)/t17-,18+/m1/s1
InChIKeySHWXBJPIMQICTA-MSOLQXFVSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
CID 92653700
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
(2S)-N-cyclopentyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778907
(2R)-N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 94778949

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 93011501) is methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is SHWXBJPIMQICTA-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-26-20(25)17-8-5-13-23(17)18(14-9-11-15(21)12-10-14)19(24)22-16-6-3-2-4-7-16/h9-12,16-18H,2-8,13H2,1H3,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 378.90 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 93011501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).