(Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid

C8H15FN2O2 — CID 22314565

IUPAC(Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid
SMILESCC(N)(CC/C(F)=C/CN)C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-8(11,7(12)13)4-2-6(9)3-5-10/h3H,2,4-5,10-11H2,1H3,(H,12,13)/b6-3-
InChIKeyGBKGZZMUYYVJAV-UTCJRWHESA-N
MW190.22 g/mol
LogP0.38
Rot. Bonds5

About (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid

(Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid (PubChem CID 22314565) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid.

Molecular Properties

Compound Name(Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid
PubChem CID22314565
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid
SMILESCC(N)(CC/C(F)=C/CN)C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-8(11,7(12)13)4-2-6(9)3-5-10/h3H,2,4-5,10-11H2,1H3,(H,12,13)/b6-3-
InChIKeyGBKGZZMUYYVJAV-UTCJRWHESA-N
XLogP0.38
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
The IUPAC name of (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid (CID 22314565) is (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid.
What is the SMILES notation for (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
The canonical SMILES for (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid is CC(N)(CC/C(F)=C/CN)C(=O)O.
What is the InChIKey of (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
The InChIKey is GBKGZZMUYYVJAV-UTCJRWHESA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-8(11,7(12)13)4-2-6(9)3-5-10/h3H,2,4-5,10-11H2,1H3,(H,12,13)/b6-3-.
What are the key properties of (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid?
(Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid has a molecular weight of 190.22 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,7-diamino-5-fluoro-2-methylhept-5-enoic acid is sourced from PubChem (CID 22314565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).