2-aminopentanedioic acid;propyl thiohypofluorite

C8H16FNO4S — CID 143896188

IUPAC2-aminopentanedioic acid;propyl thiohypofluorite
SMILESCCCSF.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H7FS/c6-3(5(9)10)1-2-4(7)8;1-2-3-5-4/h3H,1-2,6H2,(H,7,8)(H,9,10);2-3H2,1H3
InChIKeyVRXBUGQTQUYBPN-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.28
Rot. Bonds6

About 2-aminopentanedioic acid;propyl thiohypofluorite

2-aminopentanedioic acid;propyl thiohypofluorite (PubChem CID 143896188) has the molecular formula C8H16FNO4S and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-aminopentanedioic acid;propyl thiohypofluorite.

Molecular Properties

Compound Name2-aminopentanedioic acid;propyl thiohypofluorite
PubChem CID143896188
Molecular FormulaC8H16FNO4S
Molecular Weight241.28 g/mol
Exact Mass241.08
IUPAC Name2-aminopentanedioic acid;propyl thiohypofluorite
SMILESCCCSF.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H7FS/c6-3(5(9)10)1-2-4(7)8;1-2-3-5-4/h3H,1-2,6H2,(H,7,8)(H,9,10);2-3H2,1H3
InChIKeyVRXBUGQTQUYBPN-UHFFFAOYSA-N
XLogP1.28
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-aminopentanedioic acid;butanedioic acid;butanoic acid
CID 158042899
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
2-aminopentanedioic acid;dodecanoic acid
CID 175003829

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;propyl thiohypofluorite?
The IUPAC name of 2-aminopentanedioic acid;propyl thiohypofluorite (CID 143896188) is 2-aminopentanedioic acid;propyl thiohypofluorite.
What is the SMILES notation for 2-aminopentanedioic acid;propyl thiohypofluorite?
The canonical SMILES for 2-aminopentanedioic acid;propyl thiohypofluorite is CCCSF.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;propyl thiohypofluorite?
The InChIKey is VRXBUGQTQUYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C3H7FS/c6-3(5(9)10)1-2-4(7)8;1-2-3-5-4/h3H,1-2,6H2,(H,7,8)(H,9,10);2-3H2,1H3.
What are the key properties of 2-aminopentanedioic acid;propyl thiohypofluorite?
2-aminopentanedioic acid;propyl thiohypofluorite has a molecular weight of 241.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;propyl thiohypofluorite is sourced from PubChem (CID 143896188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).