azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid

C4H12N2O6S — CID 173002531

IUPACazane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid
SMILESN.N.O=C(O)C(O)SC(O)C(=O)O
InChIInChI=1S/C4H6O6S.2H3N/c5-1(6)3(9)11-4(10)2(7)8;;/h3-4,9-10H,(H,5,6)(H,7,8);2*1H3
InChIKeyFGAVRZFCIWZZSO-UHFFFAOYSA-N
MW216.22 g/mol
LogP-1.15
Rot. Bonds4

About azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid

azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid (PubChem CID 173002531) has the molecular formula C4H12N2O6S and a molecular weight of 216.22 g/mol. Its IUPAC name is azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid.

Molecular Properties

Compound Nameazane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid
PubChem CID173002531
Molecular FormulaC4H12N2O6S
Molecular Weight216.22 g/mol
Exact Mass216.04
IUPAC Nameazane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid
SMILESN.N.O=C(O)C(O)SC(O)C(=O)O
InChIInChI=1S/C4H6O6S.2H3N/c5-1(6)3(9)11-4(10)2(7)8;;/h3-4,9-10H,(H,5,6)(H,7,8);2*1H3
InChIKeyFGAVRZFCIWZZSO-UHFFFAOYSA-N
XLogP-1.15
TPSA185.06 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[carboxy(hydroxy)methyl]tetrasulfanyl]-2-hydroxyacetic acid
CID 21467021
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
disodium;2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate
CID 22572372
potassium;azane;2,3-dihydroxybutanedioic acid;erbium;hydride;octahydrochloride
CID 174742657
bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)
CID 22173781
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
2-methylpropanoic acid
CID 173073412
alumane;carboxy(trihydroxy)phosphanium
CID 174760708
CID 172775345
CID 172775345
(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
2-ethylsulfonylsulfanyl-2-hydroxyacetic acid
CID 87784939

Frequently Asked Questions

What is the IUPAC name of azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid?
The IUPAC name of azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid (CID 173002531) is azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid.
What is the SMILES notation for azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid?
The canonical SMILES for azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid is N.N.O=C(O)C(O)SC(O)C(=O)O.
What is the InChIKey of azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid?
The InChIKey is FGAVRZFCIWZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6S.2H3N/c5-1(6)3(9)11-4(10)2(7)8;;/h3-4,9-10H,(H,5,6)(H,7,8);2*1H3.
What are the key properties of azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid?
azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid has a molecular weight of 216.22 g/mol, XLogP of -1.15, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[carboxy(hydroxy)methyl]sulfanyl-2-hydroxyacetic acid is sourced from PubChem (CID 173002531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).