methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate

C16H24N2O3 — CID 170884554

IUPACmethyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
SMILESCCOc1cc(N2CCCC2)ccc1CC(N)C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-3-21-15-11-13(18-8-4-5-9-18)7-6-12(15)10-14(17)16(19)20-2/h6-7,11,14H,3-5,8-10,17H2,1-2H3
InChIKeyUSNVBOWKJPBMFN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.73
Rot. Bonds6

About methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate

methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate (PubChem CID 170884554) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
PubChem CID170884554
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
SMILESCCOc1cc(N2CCCC2)ccc1CC(N)C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-3-21-15-11-13(18-8-4-5-9-18)7-6-12(15)10-14(17)16(19)20-2/h6-7,11,14H,3-5,8-10,17H2,1-2H3
InChIKeyUSNVBOWKJPBMFN-UHFFFAOYSA-N
XLogP1.73
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoate
CID 170884232
2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
CID 170880036
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
CID 170885740
1-(2-ethoxy-4-morpholin-4-ylphenyl)propan-2-amine
CID 170864869
(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
CID 66515895
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170878130
methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate
CID 169094237
ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 170885664
3-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881208
methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
CID 170883928

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate (CID 170884554) is methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate is CCOc1cc(N2CCCC2)ccc1CC(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate?
The InChIKey is USNVBOWKJPBMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-15-11-13(18-8-4-5-9-18)7-6-12(15)10-14(17)16(19)20-2/h6-7,11,14H,3-5,8-10,17H2,1-2H3.
What are the key properties of methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate?
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate has a molecular weight of 292.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate is sourced from PubChem (CID 170884554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).