5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid

C8H13F2NO3 — CID 103513451

IUPAC5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-5(2-3-6(12)13)4-11-8(14)7(9)10/h5,7H,2-4H2,1H3,(H,11,14)(H,12,13)
InChIKeyIEUXLZOPNQILHC-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.87
Rot. Bonds6

About 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid

5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid (PubChem CID 103513451) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
PubChem CID103513451
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-5(2-3-6(12)13)4-11-8(14)7(9)10/h5,7H,2-4H2,1H3,(H,11,14)(H,12,13)
InChIKeyIEUXLZOPNQILHC-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
4-methyl-5-(2-phenylbutanoylamino)pentanoic acid
CID 82017105
4-methyl-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 82688124
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid (CID 103513451) is 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)C(F)F.
What is the InChIKey of 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid?
The InChIKey is IEUXLZOPNQILHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-5(2-3-6(12)13)4-11-8(14)7(9)10/h5,7H,2-4H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid?
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid has a molecular weight of 209.19 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 103513451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).