(2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane

C3H6NO5S2- — CID 6604702

IUPAC(2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane
SMILESN[C@@H](CSS(=O)(=O)[O-])C(=O)O
InChIInChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1/t2-/m0/s1
InChIKeyNOKPBJYHPHHWAN-REOHCLBHSA-M
MW200.22 g/mol
LogP-1.41
Rot. Bonds4

About (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane

(2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane (PubChem CID 6604702) has the molecular formula C3H6NO5S2- and a molecular weight of 200.22 g/mol. Its IUPAC name is (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane.

Molecular Properties

Compound Name(2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane
PubChem CID6604702
Molecular FormulaC3H6NO5S2-
Molecular Weight200.22 g/mol
Exact Mass199.97
IUPAC Name(2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane
SMILESN[C@@H](CSS(=O)(=O)[O-])C(=O)O
InChIInChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1/t2-/m0/s1
InChIKeyNOKPBJYHPHHWAN-REOHCLBHSA-M
XLogP-1.41
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

L-(+)-Cysteine
CID 5862
(-)-Cystine
CID 67678
L-Cysteinesulfonic acid
CID 115015
L-cysteinesulfinic acid
CID 1549098
D-Cysteine
CID 92851
2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
CID 595
L-Cysteic acid
CID 72886
DL-cysteine
CID 594
DL-Cysteic acid
CID 25701
D-Cystine
CID 6857538
Cysteinesulfinic acid, (A+-)-
CID 109
CID 7068808
CID 7068808

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane?
The IUPAC name of (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane (CID 6604702) is (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane.
What is the SMILES notation for (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane?
The canonical SMILES for (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane is N[C@@H](CSS(=O)(=O)[O-])C(=O)O.
What is the InChIKey of (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane?
The InChIKey is NOKPBJYHPHHWAN-REOHCLBHSA-M. The full InChI is InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1/t2-/m0/s1.
What are the key properties of (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane?
(2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane has a molecular weight of 200.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-hydroxy-1-oxo-3-sulfonatosulfanylpropane is sourced from PubChem (CID 6604702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).