(2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid

C8H14FNO2 — CID 91531462

IUPAC(2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid
SMILESC[C@@H](CCC=C(F)CN)C(=O)O
InChIInChI=1S/C8H14FNO2/c1-6(8(11)12)3-2-4-7(9)5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyBWFZVTOOVXJORY-LURJTMIESA-N
MW175.20 g/mol
LogP1.30
Rot. Bonds5

About (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid

(2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid (PubChem CID 91531462) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid.

Molecular Properties

Compound Name(2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid
PubChem CID91531462
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid
SMILESC[C@@H](CCC=C(F)CN)C(=O)O
InChIInChI=1S/C8H14FNO2/c1-6(8(11)12)3-2-4-7(9)5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyBWFZVTOOVXJORY-LURJTMIESA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid?
The IUPAC name of (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid (CID 91531462) is (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid.
What is the SMILES notation for (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid?
The canonical SMILES for (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid is C[C@@H](CCC=C(F)CN)C(=O)O.
What is the InChIKey of (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid?
The InChIKey is BWFZVTOOVXJORY-LURJTMIESA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(8(11)12)3-2-4-7(9)5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid?
(2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid has a molecular weight of 175.20 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-amino-6-fluoro-2-methylhept-5-enoic acid is sourced from PubChem (CID 91531462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).