(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid

C8H15F2NO2 — CID 87211555

IUPAC(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid
SMILESCCC(F)(F)CC[C@](C)(N)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-3-8(9,10)5-4-7(2,11)6(12)13/h3-5,11H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyYERPEVRLTMEMHT-ZETCQYMHSA-N
MW195.21 g/mol
LogP1.61
Rot. Bonds5

About (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid

(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid (PubChem CID 87211555) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid
PubChem CID87211555
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid
SMILESCCC(F)(F)CC[C@](C)(N)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-3-8(9,10)5-4-7(2,11)6(12)13/h3-5,11H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyYERPEVRLTMEMHT-ZETCQYMHSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butanoic acid
CID 63967132
2-amino-2-methyl-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82792259
CID 173125900
CID 173125900
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-fluoro-2-methylbutanoic acid
CID 11366977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid?
The IUPAC name of (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid (CID 87211555) is (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid.
What is the SMILES notation for (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid?
The canonical SMILES for (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid is CCC(F)(F)CC[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid?
The InChIKey is YERPEVRLTMEMHT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-3-8(9,10)5-4-7(2,11)6(12)13/h3-5,11H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid?
(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid has a molecular weight of 195.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5-difluoro-2-methylheptanoic acid is sourced from PubChem (CID 87211555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).