(2S)-2-aminopropanoic acid;sulfuric acid

C3H9NO6S — CID 56932726

IUPAC(2S)-2-aminopropanoic acid;sulfuric acid
SMILESC[C@H](N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H7NO2.H2O4S/c1-2(4)3(5)6;1-5(2,3)4/h2H,4H2,1H3,(H,5,6);(H2,1,2,3,4)/t2-;/m0./s1
InChIKeyRZLFKJRZFPKYKF-DKWTVANSSA-N
MW187.17 g/mol
LogP-1.23
Rot. Bonds1

About (2S)-2-aminopropanoic acid;sulfuric acid

(2S)-2-aminopropanoic acid;sulfuric acid (PubChem CID 56932726) has the molecular formula C3H9NO6S and a molecular weight of 187.17 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;sulfuric acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;sulfuric acid
PubChem CID56932726
Molecular FormulaC3H9NO6S
Molecular Weight187.17 g/mol
Exact Mass187.02
IUPAC Name(2S)-2-aminopropanoic acid;sulfuric acid
SMILESC[C@H](N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H7NO2.H2O4S/c1-2(4)3(5)6;1-5(2,3)4/h2H,4H2,1H3,(H,5,6);(H2,1,2,3,4)/t2-;/m0./s1
InChIKeyRZLFKJRZFPKYKF-DKWTVANSSA-N
XLogP-1.23
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-aminopropanoic acid;sulfuric 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

tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid
CID 21441171
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
(2S)-2-aminopropanoic acid;polane
CID 173022618
potassium;2-aminopropanoic acid;hydride
CID 173162937
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;sulfuric acid?
The IUPAC name of (2S)-2-aminopropanoic acid;sulfuric acid (CID 56932726) is (2S)-2-aminopropanoic acid;sulfuric acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;sulfuric acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;sulfuric acid is C[C@H](N)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;sulfuric acid?
The InChIKey is RZLFKJRZFPKYKF-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2.H2O4S/c1-2(4)3(5)6;1-5(2,3)4/h2H,4H2,1H3,(H,5,6);(H2,1,2,3,4)/t2-;/m0./s1.
What are the key properties of (2S)-2-aminopropanoic acid;sulfuric acid?
(2S)-2-aminopropanoic acid;sulfuric acid has a molecular weight of 187.17 g/mol, XLogP of -1.23, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;sulfuric acid is sourced from PubChem (CID 56932726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).