methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate

C14H19F2NO2 — CID 66097553

IUPACmethyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1ccc(F)cc1F)C(C)(C)N
InChIInChI=1S/C14H19F2NO2/c1-13(2,17)14(3,8-12(18)19-4)10-6-5-9(15)7-11(10)16/h5-7H,8,17H2,1-4H3
InChIKeyIXPRXEDYXLSYNH-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.52
Rot. Bonds4

About methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate

methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate (PubChem CID 66097553) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
PubChem CID66097553
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1ccc(F)cc1F)C(C)(C)N
InChIInChI=1S/C14H19F2NO2/c1-13(2,17)14(3,8-12(18)19-4)10-6-5-9(15)7-11(10)16/h5-7H,8,17H2,1-4H3
InChIKeyIXPRXEDYXLSYNH-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-3-(4-bromo-2-fluorophenyl)-3,4-dimethylpentanoate
CID 82973423
ethyl (3S)-3-amino-3-(2,4-difluorophenyl)butanoate
CID 67025344
4-amino-3-(2,5-difluorophenyl)-3,4-dimethylpentanoic acid
CID 66089778
2-(2,4-difluorophenyl)-2-methoxypropanamide
CID 90905541
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
ethyl 3-(2,4-difluorophenyl)-3-hydroxybutanoate
CID 55071402
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712
ethyl 3-(2,4-difluorophenyl)-3-(ethylamino)butanoate
CID 65233544
methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
CID 66099026
methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate
CID 60787394
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate?
The IUPAC name of methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate (CID 66097553) is methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate?
The canonical SMILES for methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate is COC(=O)CC(C)(c1ccc(F)cc1F)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate?
The InChIKey is IXPRXEDYXLSYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-13(2,17)14(3,8-12(18)19-4)10-6-5-9(15)7-11(10)16/h5-7H,8,17H2,1-4H3.
What are the key properties of methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate?
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate has a molecular weight of 271.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate is sourced from PubChem (CID 66097553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).