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

C14H20N2O2 — CID 81387712

IUPAC(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O2/c1-10(11-6-3-4-8-13(11)18-2)16-14(17)12-7-5-9-15-12/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyOVGFXDAVOPBFEW-PWSUYJOCSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds4

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

(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 81387712) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID81387712
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O2/c1-10(11-6-3-4-8-13(11)18-2)16-14(17)12-7-5-9-15-12/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3,(H,16,17)/t10-,12+/m1/s1
InChIKeyOVGFXDAVOPBFEW-PWSUYJOCSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
(2R)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 103808923
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
4-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104921952
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 54862061
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 81387712) is (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is OVGFXDAVOPBFEW-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-6-3-4-8-13(11)18-2)16-14(17)12-7-5-9-15-12/h3-4,6,8,10,12,15H,5,7,9H2,1-2H3,(H,16,17)/t10-,12+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 81387712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).