3-amino-3-sulfinopropanoic acid

C3H7NO4S — CID 57171154

IUPAC3-amino-3-sulfinopropanoic acid
SMILESNC(CC(=O)O)S(=O)O
InChIInChI=1S/C3H7NO4S/c4-2(9(7)8)1-3(5)6/h2H,1,4H2,(H,5,6)(H,7,8)
InChIKeyVOGYYVNFSGNIOZ-UHFFFAOYSA-N
MW153.16 g/mol
LogP-1.03
Rot. Bonds3

About 3-amino-3-sulfinopropanoic acid

3-amino-3-sulfinopropanoic acid (PubChem CID 57171154) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is 3-amino-3-sulfinopropanoic acid.

Molecular Properties

Compound Name3-amino-3-sulfinopropanoic acid
PubChem CID57171154
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name3-amino-3-sulfinopropanoic acid
SMILESNC(CC(=O)O)S(=O)O
InChIInChI=1S/C3H7NO4S/c4-2(9(7)8)1-3(5)6/h2H,1,4H2,(H,5,6)(H,7,8)
InChIKeyVOGYYVNFSGNIOZ-UHFFFAOYSA-N
XLogP-1.03
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-3-sulfinopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-bromopropanoic acid
CID 88756244
2-hydroxybutanedioic acid;methylsulfinylmethane
CID 175504594
2-aminobutanedioic acid;molybdenum
CID 76550864
2-aminobutanedioic acid;selane
CID 174828111
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
CID 131864134
CID 131864134
2-aminobutanedioic acid;2-hydroxybutanedioic acid
CID 87166699

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-sulfinopropanoic acid?
The IUPAC name of 3-amino-3-sulfinopropanoic acid (CID 57171154) is 3-amino-3-sulfinopropanoic acid.
What is the SMILES notation for 3-amino-3-sulfinopropanoic acid?
The canonical SMILES for 3-amino-3-sulfinopropanoic acid is NC(CC(=O)O)S(=O)O.
What is the InChIKey of 3-amino-3-sulfinopropanoic acid?
The InChIKey is VOGYYVNFSGNIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c4-2(9(7)8)1-3(5)6/h2H,1,4H2,(H,5,6)(H,7,8).
What are the key properties of 3-amino-3-sulfinopropanoic acid?
3-amino-3-sulfinopropanoic acid has a molecular weight of 153.16 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-sulfinopropanoic acid is sourced from PubChem (CID 57171154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).