2-amino-4-hydroxysulfonothioylbutanoic acid

C4H9NO4S2 — CID 21295093

IUPAC2-amino-4-hydroxysulfonothioylbutanoic acid
SMILESNC(CCS(=O)(O)=S)C(=O)O
InChIInChI=1S/C4H9NO4S2/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
InChIKeyGLNYGUGVGMUOAR-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.99
Rot. Bonds4

About 2-amino-4-hydroxysulfonothioylbutanoic acid

2-amino-4-hydroxysulfonothioylbutanoic acid (PubChem CID 21295093) has the molecular formula C4H9NO4S2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-4-hydroxysulfonothioylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxysulfonothioylbutanoic acid
PubChem CID21295093
Molecular FormulaC4H9NO4S2
Molecular Weight199.25 g/mol
Exact Mass199.00
IUPAC Name2-amino-4-hydroxysulfonothioylbutanoic acid
SMILESNC(CCS(=O)(O)=S)C(=O)O
InChIInChI=1S/C4H9NO4S2/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
InChIKeyGLNYGUGVGMUOAR-UHFFFAOYSA-N
XLogP-0.99
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

L-cysteinesulfinic acid
CID 1549098
L-Cysteic acid
CID 72886
DL-Cysteic acid
CID 25701
Methionine Sulfone
CID 445282
Cysteinesulfinic acid, (A+-)-
CID 109
Homocysteic acid
CID 92117
(2R)-2-azaniumyl-3-sulfinopropanoate
CID 28167170
Butanoic acid, 2-amino-4-sulfino-, (2S)-
CID 75896
Butanoic acid, 2-amino-4-(methylsulfonyl)-
CID 69961
L-Homocysteic acid
CID 177491
3-sulfino-L-alanine(1-)
CID 6398956
L-Cysteic acid monohydrate
CID 12308854

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxysulfonothioylbutanoic acid?
The IUPAC name of 2-amino-4-hydroxysulfonothioylbutanoic acid (CID 21295093) is 2-amino-4-hydroxysulfonothioylbutanoic acid.
What is the SMILES notation for 2-amino-4-hydroxysulfonothioylbutanoic acid?
The canonical SMILES for 2-amino-4-hydroxysulfonothioylbutanoic acid is NC(CCS(=O)(O)=S)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxysulfonothioylbutanoic acid?
The InChIKey is GLNYGUGVGMUOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S2/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10).
What are the key properties of 2-amino-4-hydroxysulfonothioylbutanoic acid?
2-amino-4-hydroxysulfonothioylbutanoic acid has a molecular weight of 199.25 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxysulfonothioylbutanoic acid is sourced from PubChem (CID 21295093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).