3-amino-5-fluorohex-5-enoic acid

C6H10FNO2 — CID 89120212

IUPAC3-amino-5-fluorohex-5-enoic acid
SMILESC=C(F)CC(N)CC(=O)O
InChIInChI=1S/C6H10FNO2/c1-4(7)2-5(8)3-6(9)10/h5H,1-3,8H2,(H,9,10)
InChIKeySDGJNBDCHVIVNG-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-5-fluorohex-5-enoic acid

3-amino-5-fluorohex-5-enoic acid (PubChem CID 89120212) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 3-amino-5-fluorohex-5-enoic acid.

Molecular Properties

Compound Name3-amino-5-fluorohex-5-enoic acid
PubChem CID89120212
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name3-amino-5-fluorohex-5-enoic acid
SMILESC=C(F)CC(N)CC(=O)O
InChIInChI=1S/C6H10FNO2/c1-4(7)2-5(8)3-6(9)10/h5H,1-3,8H2,(H,9,10)
InChIKeySDGJNBDCHVIVNG-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-fluoropent-4-enoic acid
CID 11240496
3-aminohex-5-enoic acid
CID 22142027
(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CID 7146283
3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CID 174927990
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
CID 131864134
CID 131864134
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluorohex-5-enoic acid?
The IUPAC name of 3-amino-5-fluorohex-5-enoic acid (CID 89120212) is 3-amino-5-fluorohex-5-enoic acid.
What is the SMILES notation for 3-amino-5-fluorohex-5-enoic acid?
The canonical SMILES for 3-amino-5-fluorohex-5-enoic acid is C=C(F)CC(N)CC(=O)O.
What is the InChIKey of 3-amino-5-fluorohex-5-enoic acid?
The InChIKey is SDGJNBDCHVIVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-4(7)2-5(8)3-6(9)10/h5H,1-3,8H2,(H,9,10).
What are the key properties of 3-amino-5-fluorohex-5-enoic acid?
3-amino-5-fluorohex-5-enoic acid has a molecular weight of 147.15 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluorohex-5-enoic acid is sourced from PubChem (CID 89120212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).