3-amino-2-sulfopropanoic acid

C3H7NO5S — CID 19105574

IUPAC3-amino-2-sulfopropanoic acid
SMILESNCC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H7NO5S/c4-1-2(3(5)6)10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
InChIKeyOFQOAYWZEYNFQC-UHFFFAOYSA-N
MW169.16 g/mol
LogP-1.71
Rot. Bonds3

About 3-amino-2-sulfopropanoic acid

3-amino-2-sulfopropanoic acid (PubChem CID 19105574) has the molecular formula C3H7NO5S and a molecular weight of 169.16 g/mol. Its IUPAC name is 3-amino-2-sulfopropanoic acid.

Molecular Properties

Compound Name3-amino-2-sulfopropanoic acid
PubChem CID19105574
Molecular FormulaC3H7NO5S
Molecular Weight169.16 g/mol
Exact Mass169.00
IUPAC Name3-amino-2-sulfopropanoic acid
SMILESNCC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H7NO5S/c4-1-2(3(5)6)10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
InChIKeyOFQOAYWZEYNFQC-UHFFFAOYSA-N
XLogP-1.71
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-Cysteic acid
CID 72886
DL-Cysteic acid
CID 25701
L-Cysteic acid monohydrate
CID 12308854
Cysteic acid, D-
CID 2724336
N-carboxyethyltaurine
CID 54428536
Taurine beta-alanine
CID 88024086
3-Ethanesulfonamidopropanoic acid
CID 16228229
3-(3-Fluoropropylsulfonylamino)propanoic acid
CID 120082717
3-(4-Fluorobutylsulfonylamino)propanoic acid
CID 121617565
3-Amino-4-sulfobutanoic acid
CID 15294688
3-(Butane-1-sulfonamido)propanoic acid
CID 16228485
3-(2-Aminoethylsulfonylamino)propanoic acid
CID 18781673

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-sulfopropanoic acid?
The IUPAC name of 3-amino-2-sulfopropanoic acid (CID 19105574) is 3-amino-2-sulfopropanoic acid.
What is the SMILES notation for 3-amino-2-sulfopropanoic acid?
The canonical SMILES for 3-amino-2-sulfopropanoic acid is NCC(C(=O)O)S(=O)(=O)O.
What is the InChIKey of 3-amino-2-sulfopropanoic acid?
The InChIKey is OFQOAYWZEYNFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5S/c4-1-2(3(5)6)10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9).
What are the key properties of 3-amino-2-sulfopropanoic acid?
3-amino-2-sulfopropanoic acid has a molecular weight of 169.16 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-sulfopropanoic acid is sourced from PubChem (CID 19105574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).