benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate

C14H19F2NO2 — CID 156775046

IUPACbenzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate
SMILESCC(C)C[C@@](N)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C14H19F2NO2/c1-10(2)8-14(17,12(15)16)13(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,17H2,1-2H3/t14-/m0/s1
InChIKeyZIVJNVUIWXAOCB-AWEZNQCLSA-N
MW271.31 g/mol
LogP2.74
Rot. Bonds6

About benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate

benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate (PubChem CID 156775046) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate
PubChem CID156775046
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namebenzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate
SMILESCC(C)C[C@@](N)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C14H19F2NO2/c1-10(2)8-14(17,12(15)16)13(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,17H2,1-2H3/t14-/m0/s1
InChIKeyZIVJNVUIWXAOCB-AWEZNQCLSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate?
The IUPAC name of benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate (CID 156775046) is benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate.
What is the SMILES notation for benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate?
The canonical SMILES for benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate is CC(C)C[C@@](N)(C(=O)OCc1ccccc1)C(F)F.
What is the InChIKey of benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate?
The InChIKey is ZIVJNVUIWXAOCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-10(2)8-14(17,12(15)16)13(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,17H2,1-2H3/t14-/m0/s1.
What are the key properties of benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate?
benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate has a molecular weight of 271.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate is sourced from PubChem (CID 156775046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).