(2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane

C5H8NO6S- — CID 89423663

IUPAC(2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane
SMILESO=C(O)CC[C@H](NS(=O)[O-])C(=O)O
InChIInChI=1S/C5H9NO6S/c7-4(8)2-1-3(5(9)10)6-13(11)12/h3,6H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1/t3-/m0/s1
InChIKeyURSSFXIWGROIJG-VKHMYHEASA-M
MW210.19 g/mol
LogP-1.31
Rot. Bonds6

About (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane

(2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane (PubChem CID 89423663) has the molecular formula C5H8NO6S- and a molecular weight of 210.19 g/mol. Its IUPAC name is (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane.

Molecular Properties

Compound Name(2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane
PubChem CID89423663
Molecular FormulaC5H8NO6S-
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Name(2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane
SMILESO=C(O)CC[C@H](NS(=O)[O-])C(=O)O
InChIInChI=1S/C5H9NO6S/c7-4(8)2-1-3(5(9)10)6-13(11)12/h3,6H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1/t3-/m0/s1
InChIKeyURSSFXIWGROIJG-VKHMYHEASA-M
XLogP-1.31
TPSA126.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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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
Glutamate(2-)
CID 5128032
CID 44272391
CID 44272391
Monopotassium glutamate
CID 23695977
Glutamate(1-)
CID 4525487
L-glutamic acid, ion(1-)
CID 5460299

Frequently Asked Questions

What is the IUPAC name of (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane?
The IUPAC name of (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane (CID 89423663) is (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane.
What is the SMILES notation for (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane?
The canonical SMILES for (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane is O=C(O)CC[C@H](NS(=O)[O-])C(=O)O.
What is the InChIKey of (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane?
The InChIKey is URSSFXIWGROIJG-VKHMYHEASA-M. The full InChI is InChI=1S/C5H9NO6S/c7-4(8)2-1-3(5(9)10)6-13(11)12/h3,6H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1/t3-/m0/s1.
What are the key properties of (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane?
(2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane has a molecular weight of 210.19 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,5-dihydroxy-1,5-dioxo-2-(sulfinatoamino)pentane is sourced from PubChem (CID 89423663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).