methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate

C14H19NO4 — CID 63918810

IUPACmethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
SMILESCOC(=O)C(N)(COc1cccc(OC)c1)C1CC1
InChIInChI=1S/C14H19NO4/c1-17-11-4-3-5-12(8-11)19-9-14(15,10-6-7-10)13(16)18-2/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyOLKPQHPXMNYHSW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds6

About methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate

methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate (PubChem CID 63918810) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
PubChem CID63918810
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
SMILESCOC(=O)C(N)(COc1cccc(OC)c1)C1CC1
InChIInChI=1S/C14H19NO4/c1-17-11-4-3-5-12(8-11)19-9-14(15,10-6-7-10)13(16)18-2/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyOLKPQHPXMNYHSW-UHFFFAOYSA-N
XLogP1.35
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
CID 63919017
1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol
CID 64812746
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
CID 63984055
methyl 2-amino-2-cyclopropyl-3-(3-fluoro-4-nitrophenoxy)propanoate
CID 63920916
methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
CID 63919008
2-amino-2-cyclopropyl-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63920220
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
ethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylphenoxy)propanoate
CID 63919012
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
CID 63921568
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
CID 63917282
methyl 2-amino-3-(2-chloro-6-nitrophenoxy)-2-cyclopropylpropanoate
CID 107718375

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate (CID 63918810) is methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate is COC(=O)C(N)(COc1cccc(OC)c1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate?
The InChIKey is OLKPQHPXMNYHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-11-4-3-5-12(8-11)19-9-14(15,10-6-7-10)13(16)18-2/h3-5,8,10H,6-7,9,15H2,1-2H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate?
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate is sourced from PubChem (CID 63918810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).