methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate

C15H20N2O4 — CID 63139631

IUPACmethyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2(C)CCNC2)cc1
InChIInChI=1S/C15H20N2O4/c1-15(7-8-16-10-15)14(19)17-11-3-5-12(6-4-11)21-9-13(18)20-2/h3-6,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyVHEQKBDAUKYTNO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.18
Rot. Bonds5

About methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate

methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate (PubChem CID 63139631) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
PubChem CID63139631
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2(C)CCNC2)cc1
InChIInChI=1S/C15H20N2O4/c1-15(7-8-16-10-15)14(19)17-11-3-5-12(6-4-11)21-9-13(18)20-2/h3-6,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyVHEQKBDAUKYTNO-UHFFFAOYSA-N
XLogP1.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944287
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
CID 51983589
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
CID 119946458
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
2-methyl-2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 80549555

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate (CID 63139631) is methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)C2(C)CCNC2)cc1.
What is the InChIKey of methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate?
The InChIKey is VHEQKBDAUKYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(7-8-16-10-15)14(19)17-11-3-5-12(6-4-11)21-9-13(18)20-2/h3-6,16H,7-10H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 63139631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).