2-amino-3-fluorosulfanylpentanedioic acid

C5H8FNO4S — CID 143663953

IUPAC2-amino-3-fluorosulfanylpentanedioic acid
SMILESNC(C(=O)O)C(CC(=O)O)SF
InChIInChI=1S/C5H8FNO4S/c6-12-2(1-3(8)9)4(7)5(10)11/h2,4H,1,7H2,(H,8,9)(H,10,11)
InChIKeyKSBAYBIQHUBNFA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.14
Rot. Bonds5

About 2-amino-3-fluorosulfanylpentanedioic acid

2-amino-3-fluorosulfanylpentanedioic acid (PubChem CID 143663953) has the molecular formula C5H8FNO4S and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-amino-3-fluorosulfanylpentanedioic acid.

Molecular Properties

Compound Name2-amino-3-fluorosulfanylpentanedioic acid
PubChem CID143663953
Molecular FormulaC5H8FNO4S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC Name2-amino-3-fluorosulfanylpentanedioic acid
SMILESNC(C(=O)O)C(CC(=O)O)SF
InChIInChI=1S/C5H8FNO4S/c6-12-2(1-3(8)9)4(7)5(10)11/h2,4H,1,7H2,(H,8,9)(H,10,11)
InChIKeyKSBAYBIQHUBNFA-UHFFFAOYSA-N
XLogP-0.14
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

L-Glutamic Acid
CID 33032
D-Glutamic Acid
CID 23327
DL-Glutamic acid
CID 611
Glutamic Acid Hydrochloride
CID 2723891
Monosodium Glutamate
CID 23689119
Sodium Glutamate
CID 23672308
CID 88747398
CID 88747398
CID 44272391
CID 44272391
Monopotassium glutamate
CID 23695977
CID 139054390
CID 139054390
Sodium L-glutamate hydrate
CID 23666328
Sodium cocoyl glutamate
CID 23676143

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluorosulfanylpentanedioic acid?
The IUPAC name of 2-amino-3-fluorosulfanylpentanedioic acid (CID 143663953) is 2-amino-3-fluorosulfanylpentanedioic acid.
What is the SMILES notation for 2-amino-3-fluorosulfanylpentanedioic acid?
The canonical SMILES for 2-amino-3-fluorosulfanylpentanedioic acid is NC(C(=O)O)C(CC(=O)O)SF.
What is the InChIKey of 2-amino-3-fluorosulfanylpentanedioic acid?
The InChIKey is KSBAYBIQHUBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO4S/c6-12-2(1-3(8)9)4(7)5(10)11/h2,4H,1,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-3-fluorosulfanylpentanedioic acid?
2-amino-3-fluorosulfanylpentanedioic acid has a molecular weight of 197.19 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluorosulfanylpentanedioic acid is sourced from PubChem (CID 143663953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).