methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate

C8H15F2NO2 — CID 105448760

IUPACmethyl 2-amino-2-(difluoromethyl)-4-methylpentanoate
SMILESCOC(=O)C(N)(CC(C)C)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-5(2)4-8(11,6(9)10)7(12)13-3/h5-6H,4,11H2,1-3H3
InChIKeyRJLBCUQPOWKHIG-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate

methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate (PubChem CID 105448760) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-(difluoromethyl)-4-methylpentanoate
PubChem CID105448760
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Namemethyl 2-amino-2-(difluoromethyl)-4-methylpentanoate
SMILESCOC(=O)C(N)(CC(C)C)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-5(2)4-8(11,6(9)10)7(12)13-3/h5-6H,4,11H2,1-3H3
InChIKeyRJLBCUQPOWKHIG-UHFFFAOYSA-N
XLogP1.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-amino-2,4-dimethylpentanoate hydrochloride
CID 20342912
rac-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate hydrochloride
CID 122163830
Methyl 1-amino-3,3-difluorocyclobutane-1-carboxylate hydrochloride
CID 137952022
Ethyl 2-Amino-2-difluoromethyl-4-cyanobutyrate
CID 9877714
Methyl 2-amino-2-cyclopropyl-3,3,3-trifluoropropanoate hydrochloride
CID 137888308
Methyl 1-amino-3-(difluoromethyl)cyclobutane-1-carboxylate hydrochloride
CID 137964727
Methyl 2-isocyano-4-methyl-2-(trifluoromethyl)pentanoate
CID 11009577
Methyl 2-methyl-L-norvalinate
CID 25584936
2-amino-4-methyl-2-(trifluoromethyl)pentanoic Acid
CID 2777529
cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate
CID 11379297
Methyl 2-amino-2-methylpentanoate
CID 14168821
Ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate
CID 14548437

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate?
The IUPAC name of methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate (CID 105448760) is methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate.
What is the SMILES notation for methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate?
The canonical SMILES for methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate is COC(=O)C(N)(CC(C)C)C(F)F.
What is the InChIKey of methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate?
The InChIKey is RJLBCUQPOWKHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-5(2)4-8(11,6(9)10)7(12)13-3/h5-6H,4,11H2,1-3H3.
What are the key properties of methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate?
methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate has a molecular weight of 195.21 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(difluoromethyl)-4-methylpentanoate is sourced from PubChem (CID 105448760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).