(2R)-3-amino-2-hydroxypropane-1-sulfonic acid

C3H9NO4S — CID 154444546

IUPAC(2R)-3-amino-2-hydroxypropane-1-sulfonic acid
SMILESNC[C@@H](O)CS(=O)(=O)O
InChIInChI=1S/C3H9NO4S/c4-1-3(5)2-9(6,7)8/h3,5H,1-2,4H2,(H,6,7,8)/t3-/m1/s1
InChIKeyBZVKOCJZTCLEMW-GSVOUGTGSA-N
MW155.17 g/mol
LogP-1.81
Rot. Bonds3

About (2R)-3-amino-2-hydroxypropane-1-sulfonic acid

(2R)-3-amino-2-hydroxypropane-1-sulfonic acid (PubChem CID 154444546) has the molecular formula C3H9NO4S and a molecular weight of 155.17 g/mol. Its IUPAC name is (2R)-3-amino-2-hydroxypropane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-3-amino-2-hydroxypropane-1-sulfonic acid
PubChem CID154444546
Molecular FormulaC3H9NO4S
Molecular Weight155.17 g/mol
Exact Mass155.03
IUPAC Name(2R)-3-amino-2-hydroxypropane-1-sulfonic acid
SMILESNC[C@@H](O)CS(=O)(=O)O
InChIInChI=1S/C3H9NO4S/c4-1-3(5)2-9(6,7)8/h3,5H,1-2,4H2,(H,6,7,8)/t3-/m1/s1
InChIKeyBZVKOCJZTCLEMW-GSVOUGTGSA-N
XLogP-1.81
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-1.81
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

1,3-dihydroxybutane-1,4-disulfonic acid
CID 90795169
sodium 3-chloro-2-hydroxypropane-1-sulfonic acid
CID 19438256
3-(diaminomethylideneamino)-2-hydroxypropane-1-sulfonic acid
CID 87622109
sodium;3-chloro-2-hydroxypropane-1-sulfonic acid;hydride
CID 173003545
3-acetyloxy-2-hydroxypropane-1-sulfonic acid
CID 20821763
1-amino-3-chloropropan-2-ol;methanesulfonic acid
CID 87816354
2-aminoacetic acid;3-(dimethylamino)-2-hydroxypropane-1-sulfonic acid
CID 175306062
2-hydroxy-3-prop-1-en-2-yloxypropane-1-sulfonic acid
CID 174926640
1-aminotetradecan-2-ol;sulfuric acid
CID 158919972
3-[(2-amino-2-oxoethyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 161312373
3-[3-aminopropyl(methylsulfonyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 158973571
CID 175729762
CID 175729762

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-hydroxypropane-1-sulfonic acid?
The IUPAC name of (2R)-3-amino-2-hydroxypropane-1-sulfonic acid (CID 154444546) is (2R)-3-amino-2-hydroxypropane-1-sulfonic acid.
What is the SMILES notation for (2R)-3-amino-2-hydroxypropane-1-sulfonic acid?
The canonical SMILES for (2R)-3-amino-2-hydroxypropane-1-sulfonic acid is NC[C@@H](O)CS(=O)(=O)O.
What is the InChIKey of (2R)-3-amino-2-hydroxypropane-1-sulfonic acid?
The InChIKey is BZVKOCJZTCLEMW-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H9NO4S/c4-1-3(5)2-9(6,7)8/h3,5H,1-2,4H2,(H,6,7,8)/t3-/m1/s1.
What are the key properties of (2R)-3-amino-2-hydroxypropane-1-sulfonic acid?
(2R)-3-amino-2-hydroxypropane-1-sulfonic acid has a molecular weight of 155.17 g/mol, XLogP of -1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-hydroxypropane-1-sulfonic acid is sourced from PubChem (CID 154444546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).