4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid

C8H11NO3S — CID 130700321

IUPAC4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid
SMILESC[C@@H](O)[C@@H](N)c1csc(C(=O)O)c1
InChIInChI=1S/C8H11NO3S/c1-4(10)7(9)5-2-6(8(11)12)13-3-5/h2-4,7,10H,9H2,1H3,(H,11,12)/t4-,7-/m1/s1
InChIKeyIVXLEOLBFANKNI-CLZZGJSISA-N
MW201.25 g/mol
LogP0.83
Rot. Bonds3

About 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid

4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid (PubChem CID 130700321) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid
PubChem CID130700321
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid
SMILESC[C@@H](O)[C@@H](N)c1csc(C(=O)O)c1
InChIInChI=1S/C8H11NO3S/c1-4(10)7(9)5-2-6(8(11)12)13-3-5/h2-4,7,10H,9H2,1H3,(H,11,12)/t4-,7-/m1/s1
InChIKeyIVXLEOLBFANKNI-CLZZGJSISA-N
XLogP0.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid (CID 130700321) is 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid is C[C@@H](O)[C@@H](N)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid?
The InChIKey is IVXLEOLBFANKNI-CLZZGJSISA-N. The full InChI is InChI=1S/C8H11NO3S/c1-4(10)7(9)5-2-6(8(11)12)13-3-5/h2-4,7,10H,9H2,1H3,(H,11,12)/t4-,7-/m1/s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid?
4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid has a molecular weight of 201.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxypropyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 130700321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).