methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate

C14H17F2NO3 — CID 62784881

IUPACmethyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(COc1cc(F)cc(F)c1)NC1CC1
InChIInChI=1S/C14H17F2NO3/c1-14(13(18)19-2,17-11-3-4-11)8-20-12-6-9(15)5-10(16)7-12/h5-7,11,17H,3-4,8H2,1-2H3
InChIKeyAKPBOCUCHXBIAD-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.03
Rot. Bonds6

About methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate

methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate (PubChem CID 62784881) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
PubChem CID62784881
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Namemethyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(COc1cc(F)cc(F)c1)NC1CC1
InChIInChI=1S/C14H17F2NO3/c1-14(13(18)19-2,17-11-3-4-11)8-20-12-6-9(15)5-10(16)7-12/h5-7,11,17H,3-4,8H2,1-2H3
InChIKeyAKPBOCUCHXBIAD-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylbutanoic acid
CID 62785439
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
methyl 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)-2-methylbutanoate
CID 102983783
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide
CID 64720260
3-(3,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 62786393
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanamide
CID 62783596
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
CID 62785817
2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 103290058
ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
CID 63921373
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
methyl 2-(cyclopropylamino)-2-methyl-3-[(3-methylphenyl)methylsulfanyl]propanoate
CID 62766075
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate (CID 62784881) is methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate is COC(=O)C(C)(COc1cc(F)cc(F)c1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate?
The InChIKey is AKPBOCUCHXBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-14(13(18)19-2,17-11-3-4-11)8-20-12-6-9(15)5-10(16)7-12/h5-7,11,17H,3-4,8H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate?
methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate has a molecular weight of 285.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 62784881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).