(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid

C3H6N2O3S — CID 21157216

IUPAC(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
SMILESO=NN[C@H](CS)C(=O)O
InChIInChI=1S/C3H6N2O3S/c6-3(7)2(1-9)4-5-8/h2,9H,1H2,(H,4,8)(H,6,7)/t2-/m1/s1
InChIKeyUXFVXZHEXLYTTN-UWTATZPHSA-N
MW150.16 g/mol
LogP-0.36
Rot. Bonds4

About (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid

(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid (PubChem CID 21157216) has the molecular formula C3H6N2O3S and a molecular weight of 150.16 g/mol. Its IUPAC name is (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
PubChem CID21157216
Molecular FormulaC3H6N2O3S
Molecular Weight150.16 g/mol
Exact Mass150.01
IUPAC Name(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
SMILESO=NN[C@H](CS)C(=O)O
InChIInChI=1S/C3H6N2O3S/c6-3(7)2(1-9)4-5-8/h2,9H,1H2,(H,4,8)(H,6,7)/t2-/m1/s1
InChIKeyUXFVXZHEXLYTTN-UWTATZPHSA-N
XLogP-0.36
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid;thionitrous S-acid
CID 87687859
2-[[2-(2-oxohydrazinyl)-3-sulfanylpropanoyl]amino]acetic acid
CID 87279999
2-[[(2R)-2-(2-oxohydrazinyl)-3-sulfanylpropanoyl]amino]acetic acid
CID 87280001
2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
CID 134588885
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
2-(2-oxohydrazinyl)-5-phosphonopentanoic acid
CID 137407867
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-[[(1-carboxy-2-sulfanylethyl)amino]methyl]propanedioic acid
CID 87237898
(2R)-2-(boronoamino)-3-sulfanylpropanoic acid
CID 140750018
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
CID 87097577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid?
The IUPAC name of (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid (CID 21157216) is (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid is O=NN[C@H](CS)C(=O)O.
What is the InChIKey of (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid?
The InChIKey is UXFVXZHEXLYTTN-UWTATZPHSA-N. The full InChI is InChI=1S/C3H6N2O3S/c6-3(7)2(1-9)4-5-8/h2,9H,1H2,(H,4,8)(H,6,7)/t2-/m1/s1.
What are the key properties of (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid?
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid has a molecular weight of 150.16 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid is sourced from PubChem (CID 21157216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).