methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate

C16H24N2O3 — CID 63382826

IUPACmethyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCOc1ccc(CCN)cc1
InChIInChI=1S/C16H24N2O3/c1-20-16(19)15-3-2-10-18(15)11-12-21-14-6-4-13(5-7-14)8-9-17/h4-7,15H,2-3,8-12,17H2,1H3
InChIKeyPVWSPKOQNONVNR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.20
Rot. Bonds7

About methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate

methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate (PubChem CID 63382826) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
PubChem CID63382826
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCOc1ccc(CCN)cc1
InChIInChI=1S/C16H24N2O3/c1-20-16(19)15-3-2-10-18(15)11-12-21-14-6-4-13(5-7-14)8-9-17/h4-7,15H,2-3,8-12,17H2,1H3
InChIKeyPVWSPKOQNONVNR-UHFFFAOYSA-N
XLogP1.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-[2-[4-(cyanomethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 96547821
methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate
CID 115279155
methyl (2S)-1-[3-(4-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97213800
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
methyl (2S)-1-[3-[4-[5-(aminomethyl)-1,3-thiazol-2-yl]phenoxy]propyl]pyrrolidine-2-carboxylate
CID 142744476
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
(2S)-1-[2-(4-methoxyphenoxy)ethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588940
methyl (2R)-1-[3-(3-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97062500

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate (CID 63382826) is methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CCOc1ccc(CCN)cc1.
What is the InChIKey of methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate?
The InChIKey is PVWSPKOQNONVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-16(19)15-3-2-10-18(15)11-12-21-14-6-4-13(5-7-14)8-9-17/h4-7,15H,2-3,8-12,17H2,1H3.
What are the key properties of methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 63382826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).