(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide

C14H20N2O — CID 81360819

IUPAC(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)11(2)16-14(17)13-7-4-8-15-13/h3,5-6,9,11,13,15H,4,7-8H2,1-2H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyDVZQPXOVZVOTFH-YPMHNXCESA-N
MW232.33 g/mol
LogP1.92
Rot. Bonds3

About (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 81360819) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID81360819
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)11(2)16-14(17)13-7-4-8-15-13/h3,5-6,9,11,13,15H,4,7-8H2,1-2H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyDVZQPXOVZVOTFH-YPMHNXCESA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104921936
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 81360819) is (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide is Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DVZQPXOVZVOTFH-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-3-6-12(9-10)11(2)16-14(17)13-7-4-8-15-13/h3,5-6,9,11,13,15H,4,7-8H2,1-2H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 81360819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).