methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate

C16H23NO3 — CID 144899240

IUPACmethyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1cccc(OCC2(C)CCNC2)c1
InChIInChI=1S/C16H23NO3/c1-16(8-9-17-11-16)12-20-14-5-3-4-13(10-14)6-7-15(18)19-2/h3-5,10,17H,6-9,11-12H2,1-2H3
InChIKeyTZGIEHGSDRFFEP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds6

About methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate

methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate (PubChem CID 144899240) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate
PubChem CID144899240
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1cccc(OCC2(C)CCNC2)c1
InChIInChI=1S/C16H23NO3/c1-16(8-9-17-11-16)12-20-14-5-3-4-13(10-14)6-7-15(18)19-2/h3-5,10,17H,6-9,11-12H2,1-2H3
InChIKeyTZGIEHGSDRFFEP-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
methyl 3-[(3-bromophenyl)methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120905444
methyl 3-[(3-bromophenyl)methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate;hydrochloride
CID 120905443
4-[(3-ethylphenoxy)methyl]piperidin-4-ol
CID 81043219
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
methyl 3-(3-piperidin-4-ylphenyl)propanoate
CID 116988945
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
methyl 5-[3-(3-hydroxypropyl)phenoxy]pentanoate
CID 10400711
3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
CID 71018372
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate (CID 144899240) is methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate is COC(=O)CCc1cccc(OCC2(C)CCNC2)c1.
What is the InChIKey of methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate?
The InChIKey is TZGIEHGSDRFFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(8-9-17-11-16)12-20-14-5-3-4-13(10-14)6-7-15(18)19-2/h3-5,10,17H,6-9,11-12H2,1-2H3.
What are the key properties of methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate?
methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate is sourced from PubChem (CID 144899240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).