ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate

C17H26N2O3 — CID 170885936

IUPACethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1OCCN1CCCC1
InChIInChI=1S/C17H26N2O3/c1-2-21-17(20)15(18)13-14-7-3-4-8-16(14)22-12-11-19-9-5-6-10-19/h3-4,7-8,15H,2,5-6,9-13,18H2,1H3
InChIKeyXRUDWHPPGXWFMR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.59
Rot. Bonds8

About ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate

ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate (PubChem CID 170885936) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate
PubChem CID170885936
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1OCCN1CCCC1
InChIInChI=1S/C17H26N2O3/c1-2-21-17(20)15(18)13-14-7-3-4-8-16(14)22-12-11-19-9-5-6-10-19/h3-4,7-8,15H,2,5-6,9-13,18H2,1H3
InChIKeyXRUDWHPPGXWFMR-UHFFFAOYSA-N
XLogP1.59
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 150933109
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
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2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
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ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate (CID 170885936) is ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate is CCOC(=O)C(N)Cc1ccccc1OCCN1CCCC1.
What is the InChIKey of ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate?
The InChIKey is XRUDWHPPGXWFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-21-17(20)15(18)13-14-7-3-4-8-16(14)22-12-11-19-9-5-6-10-19/h3-4,7-8,15H,2,5-6,9-13,18H2,1H3.
What are the key properties of ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate?
ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate has a molecular weight of 306.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate is sourced from PubChem (CID 170885936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).