methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride

C15H21ClN2O4 — CID 119325642

IUPACmethyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1cccc(CNC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-20-14(18)10-21-12-5-2-4-11(8-12)9-17-15(19)13-6-3-7-16-13;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19);1H
InChIKeyJKTQFMYMZUEECB-UHFFFAOYSA-N
MW328.80 g/mol
LogP1.03
Rot. Bonds6

About methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride

methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride (PubChem CID 119325642) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
PubChem CID119325642
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Namemethyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1cccc(CNC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-20-14(18)10-21-12-5-2-4-11(8-12)9-17-15(19)13-6-3-7-16-13;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19);1H
InChIKeyJKTQFMYMZUEECB-UHFFFAOYSA-N
XLogP1.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
CID 119283191
methyl 2-[3-[(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325626
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
N-[[3-[(4-methoxyphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325854
N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287366
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride (CID 119325642) is methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride is COC(=O)COc1cccc(CNC(=O)C2CCCN2)c1.Cl.
What is the InChIKey of methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride?
The InChIKey is JKTQFMYMZUEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.ClH/c1-20-14(18)10-21-12-5-2-4-11(8-12)9-17-15(19)13-6-3-7-16-13;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19);1H.
What are the key properties of methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride?
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride is sourced from PubChem (CID 119325642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).