(2R)-2-amino-3-sulfinylpropanoic acid

C3H5NO3S — CID 162721161

IUPAC(2R)-2-amino-3-sulfinylpropanoic acid
SMILESN[C@@H](C=S=O)C(=O)O
InChIInChI=1S/C3H5NO3S/c4-2(1-8-7)3(5)6/h1-2H,4H2,(H,5,6)/t2-/m0/s1
InChIKeyMUDDHGAXPVSEGI-REOHCLBHSA-N
MW135.14 g/mol
LogP-1.59
Rot. Bonds2

About (2R)-2-amino-3-sulfinylpropanoic acid

(2R)-2-amino-3-sulfinylpropanoic acid (PubChem CID 162721161) has the molecular formula C3H5NO3S and a molecular weight of 135.14 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfinylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfinylpropanoic acid
PubChem CID162721161
Molecular FormulaC3H5NO3S
Molecular Weight135.14 g/mol
Exact Mass135.00
IUPAC Name(2R)-2-amino-3-sulfinylpropanoic acid
SMILESN[C@@H](C=S=O)C(=O)O
InChIInChI=1S/C3H5NO3S/c4-2(1-8-7)3(5)6/h1-2H,4H2,(H,5,6)/t2-/m0/s1
InChIKeyMUDDHGAXPVSEGI-REOHCLBHSA-N
XLogP-1.59
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-sulfonylpropanoic acid
CID 22381085
(E)-2-amino-4-chlorobut-3-enoic acid
CID 130003035
(2S,3Z)-2-aminohexa-3,5-dienoic acid
CID 11018881
(2S)-2-aminopropanoic acid;methane;palladium
CID 87359274
(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid
CID 87704037
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 20665408
CID 20665408
(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
CID 88508917
3-oxopropane-1,1,2-tricarboxylic acid
CID 15748541
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfinylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-sulfinylpropanoic acid (CID 162721161) is (2R)-2-amino-3-sulfinylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-sulfinylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-sulfinylpropanoic acid is N[C@@H](C=S=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-sulfinylpropanoic acid?
The InChIKey is MUDDHGAXPVSEGI-REOHCLBHSA-N. The full InChI is InChI=1S/C3H5NO3S/c4-2(1-8-7)3(5)6/h1-2H,4H2,(H,5,6)/t2-/m0/s1.
What are the key properties of (2R)-2-amino-3-sulfinylpropanoic acid?
(2R)-2-amino-3-sulfinylpropanoic acid has a molecular weight of 135.14 g/mol, XLogP of -1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfinylpropanoic acid is sourced from PubChem (CID 162721161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).