methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate

C15H21NO4 — CID 62336177

IUPACmethyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate
SMILESCCOc1cccc(OCC(NC2CC2)C(=O)OC)c1
InChIInChI=1S/C15H21NO4/c1-3-19-12-5-4-6-13(9-12)20-10-14(15(17)18-2)16-11-7-8-11/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3
InChIKeyGWMDWBJVJPEPPI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.76
Rot. Bonds8

About methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate

methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate (PubChem CID 62336177) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate
PubChem CID62336177
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate
SMILESCCOc1cccc(OCC(NC2CC2)C(=O)OC)c1
InChIInChI=1S/C15H21NO4/c1-3-19-12-5-4-6-13(9-12)20-10-14(15(17)18-2)16-11-7-8-11/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3
InChIKeyGWMDWBJVJPEPPI-UHFFFAOYSA-N
XLogP1.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate
CID 107170380
3-(3-ethoxyphenoxy)-2-(methylamino)propanoic acid
CID 62337887
ethyl 3-(3-ethoxyphenoxy)-2-(propan-2-ylamino)propanoate
CID 62335987
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
methyl (2S)-3-[3-(3-cyclohexylbutoxy)phenoxy]-2-(methylamino)propanoate
CID 144870085
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate (CID 62336177) is methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate is CCOc1cccc(OCC(NC2CC2)C(=O)OC)c1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate?
The InChIKey is GWMDWBJVJPEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-19-12-5-4-6-13(9-12)20-10-14(15(17)18-2)16-11-7-8-11/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate?
methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate is sourced from PubChem (CID 62336177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).