ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate

C10H19F2NO3 — CID 82006587

IUPACethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)OCC(F)F
InChIInChI=1S/C10H19F2NO3/c1-4-15-9(14)10(3,13)5-7(2)16-6-8(11)12/h7-8H,4-6,13H2,1-3H3
InChIKeyPZQBJSCGAKDCQF-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.33
Rot. Bonds7

About ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate

ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate (PubChem CID 82006587) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
PubChem CID82006587
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)OCC(F)F
InChIInChI=1S/C10H19F2NO3/c1-4-15-9(14)10(3,13)5-7(2)16-6-8(11)12/h7-8H,4-6,13H2,1-3H3
InChIKeyPZQBJSCGAKDCQF-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-butoxy-2-methylpentanoate
CID 64708941
ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
CID 112589158
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate
CID 82005500
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
CID 64712073
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659
methyl 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)pentanoate
CID 82005665
ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
CID 64709276
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 82007441
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
CID 64707450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate (CID 82006587) is ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate is CCOC(=O)C(C)(N)CC(C)OCC(F)F.
What is the InChIKey of ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate?
The InChIKey is PZQBJSCGAKDCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3/c1-4-15-9(14)10(3,13)5-7(2)16-6-8(11)12/h7-8H,4-6,13H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate?
ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate has a molecular weight of 239.26 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate is sourced from PubChem (CID 82006587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).