ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate

C15H21NO3 — CID 63919017

IUPACethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
SMILESCCOC(=O)C(N)(COc1cccc(C)c1)C1CC1
InChIInChI=1S/C15H21NO3/c1-3-18-14(17)15(16,12-7-8-12)10-19-13-6-4-5-11(2)9-13/h4-6,9,12H,3,7-8,10,16H2,1-2H3
InChIKeyXIUWHMFHRNZXMM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds6

About ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate

ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate (PubChem CID 63919017) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
PubChem CID63919017
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
SMILESCCOC(=O)C(N)(COc1cccc(C)c1)C1CC1
InChIInChI=1S/C15H21NO3/c1-3-18-14(17)15(16,12-7-8-12)10-19-13-6-4-5-11(2)9-13/h4-6,9,12H,3,7-8,10,16H2,1-2H3
InChIKeyXIUWHMFHRNZXMM-UHFFFAOYSA-N
XLogP2.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylphenoxy)propanoate
CID 63919012
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
CID 63984055
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
CID 63921568
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
CID 63921373
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
methyl 2-cyclopropyl-3-(3-methylphenoxy)-2-(propan-2-ylamino)propanoate
CID 63918634
ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
CID 63917282
2-amino-2-cyclopropyl-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63920220
1-(3-methylphenoxy)butan-2-one
CID 19100291
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate (CID 63919017) is ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate is CCOC(=O)C(N)(COc1cccc(C)c1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate?
The InChIKey is XIUWHMFHRNZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-14(17)15(16,12-7-8-12)10-19-13-6-4-5-11(2)9-13/h4-6,9,12H,3,7-8,10,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 63919017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).