(2R)-2-aminopropanethioic S-acid;oxalic acid

C5H9NO5S — CID 162046267

IUPAC(2R)-2-aminopropanethioic S-acid;oxalic acid
SMILESC[C@@H](N)C(=O)S.O=C(O)C(=O)O
InChIInChI=1S/C3H7NOS.C2H2O4/c1-2(4)3(5)6;3-1(4)2(5)6/h2H,4H2,1H3,(H,5,6);(H,3,4)(H,5,6)/t2-;/m1./s1
InChIKeyHPINVGYODIACTG-HSHFZTNMSA-N
MW195.20 g/mol
LogP-1.05
Rot. Bonds1

About (2R)-2-aminopropanethioic S-acid;oxalic acid

(2R)-2-aminopropanethioic S-acid;oxalic acid (PubChem CID 162046267) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is (2R)-2-aminopropanethioic S-acid;oxalic acid.

Molecular Properties

Compound Name(2R)-2-aminopropanethioic S-acid;oxalic acid
PubChem CID162046267
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Name(2R)-2-aminopropanethioic S-acid;oxalic acid
SMILESC[C@@H](N)C(=O)S.O=C(O)C(=O)O
InChIInChI=1S/C3H7NOS.C2H2O4/c1-2(4)3(5)6;3-1(4)2(5)6/h2H,4H2,1H3,(H,5,6);(H,3,4)(H,5,6)/t2-;/m1./s1
InChIKeyHPINVGYODIACTG-HSHFZTNMSA-N
XLogP-1.05
TPSA117.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminopropanethioic S-acid;hydrochloride
CID 88799460
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
3-amino-2-oxobutanoic acid
CID 19011254
CID 175156691
CID 175156691
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
(3S)-3-amino-2-methyl-4-oxo-4-sulfanylbutanoic acid
CID 87319713
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminopropanethioic S-acid;oxalic acid?
The IUPAC name of (2R)-2-aminopropanethioic S-acid;oxalic acid (CID 162046267) is (2R)-2-aminopropanethioic S-acid;oxalic acid.
What is the SMILES notation for (2R)-2-aminopropanethioic S-acid;oxalic acid?
The canonical SMILES for (2R)-2-aminopropanethioic S-acid;oxalic acid is C[C@@H](N)C(=O)S.O=C(O)C(=O)O.
What is the InChIKey of (2R)-2-aminopropanethioic S-acid;oxalic acid?
The InChIKey is HPINVGYODIACTG-HSHFZTNMSA-N. The full InChI is InChI=1S/C3H7NOS.C2H2O4/c1-2(4)3(5)6;3-1(4)2(5)6/h2H,4H2,1H3,(H,5,6);(H,3,4)(H,5,6)/t2-;/m1./s1.
What are the key properties of (2R)-2-aminopropanethioic S-acid;oxalic acid?
(2R)-2-aminopropanethioic S-acid;oxalic acid has a molecular weight of 195.20 g/mol, XLogP of -1.05, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminopropanethioic S-acid;oxalic acid is sourced from PubChem (CID 162046267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).