(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide

C14H20N2O — CID 12739440

IUPAC(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(12-7-4-3-5-8-12)15-14(17)13-9-6-10-16(13)2/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,15,17)/t11-,13+/m1/s1
InChIKeyLUGLXWNRIIUVMU-YPMHNXCESA-N
MW232.33 g/mol
LogP1.96
Rot. Bonds3

About (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide

(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide (PubChem CID 12739440) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
PubChem CID12739440
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(12-7-4-3-5-8-12)15-14(17)13-9-6-10-16(13)2/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,15,17)/t11-,13+/m1/s1
InChIKeyLUGLXWNRIIUVMU-YPMHNXCESA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylbenzenesulfonic acid;(2S)-1-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 90115419
(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 90114971
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 110436322
N-[1-[4-(2,6-difluorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide;3,3-dimethylbutanal
CID 166535542
[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate
CID 25157488
(2S)-1-[2-(2-oxopiperidin-1-yl)acetyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 142159186
(2R)-1-benzyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 35528693

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide (CID 12739440) is (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1.
What is the InChIKey of (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
The InChIKey is LUGLXWNRIIUVMU-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(12-7-4-3-5-8-12)15-14(17)13-9-6-10-16(13)2/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,15,17)/t11-,13+/m1/s1.
What are the key properties of (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 12739440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).