(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C13H19ClN2O2 — CID 119288736

IUPAC(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCc1cccc(NC(=O)[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-9-10-4-2-5-11(8-10)15-13(16)12-6-3-7-14-12;/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyMUNSEBLNPAABKR-YDALLXLXSA-N
MW270.76 g/mol
LogP1.95
Rot. Bonds4

About (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119288736) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119288736
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCc1cccc(NC(=O)[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-9-10-4-2-5-11(8-10)15-13(16)12-6-3-7-14-12;/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyMUNSEBLNPAABKR-YDALLXLXSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320762
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119288736) is (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is COCc1cccc(NC(=O)[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MUNSEBLNPAABKR-YDALLXLXSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-17-9-10-4-2-5-11(8-10)15-13(16)12-6-3-7-14-12;/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119288736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).