methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate

C9H15F2NO3 — CID 82007078

IUPACmethyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
SMILESCOC(=O)C(COCC(F)F)NC1CC1
InChIInChI=1S/C9H15F2NO3/c1-14-9(13)7(12-6-2-3-6)4-15-5-8(10)11/h6-8,12H,2-5H2,1H3
InChIKeyLGARULTVYVDOLS-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.56
Rot. Bonds7

About methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate

methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate (PubChem CID 82007078) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
PubChem CID82007078
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
SMILESCOC(=O)C(COCC(F)F)NC1CC1
InChIInChI=1S/C9H15F2NO3/c1-14-9(13)7(12-6-2-3-6)4-15-5-8(10)11/h6-8,12H,2-5H2,1H3
InChIKeyLGARULTVYVDOLS-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64744611
methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
methyl 2-(cyclopropylamino)-4-(3-hydroxypropylsulfanyl)butanoate
CID 66125970
methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 63041148
ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate
CID 106666692
methyl 2-(cyclopropylamino)-4-(3-methoxypropylsulfanyl)butanoate
CID 55261700
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
methyl 2-[(4-ethylcyclohexyl)amino]-4-methylpentanoate
CID 43688945
methyl 2-(cyclopropylamino)-3-(3-ethoxyphenoxy)propanoate
CID 62336177

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate (CID 82007078) is methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate is COC(=O)C(COCC(F)F)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
The InChIKey is LGARULTVYVDOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-14-9(13)7(12-6-2-3-6)4-15-5-8(10)11/h6-8,12H,2-5H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate?
methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate has a molecular weight of 223.22 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate is sourced from PubChem (CID 82007078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).