(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C13H18N2O2 — CID 50944119

IUPAC(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H18N2O2/c1-17-11-5-2-4-10(8-11)9-15-13(16)12-6-3-7-14-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyBAWSYFSNWOHZEP-LBPRGKRZSA-N
MW234.30 g/mol
LogP1.06
Rot. Bonds4

About (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 50944119) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID50944119
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H18N2O2/c1-17-11-5-2-4-10(8-11)9-15-13(16)12-6-3-7-14-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyBAWSYFSNWOHZEP-LBPRGKRZSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325854
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
CID 119283191
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 50944119) is (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1cccc(CNC(=O)[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BAWSYFSNWOHZEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-11-5-2-4-10(8-11)9-15-13(16)12-6-3-7-14-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50944119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).