5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid

C7H9NO3S — CID 130634208

IUPAC5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid
SMILESN[C@H](CO)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c8-4(3-9)5-1-2-6(12-5)7(10)11/h1-2,4,9H,3,8H2,(H,10,11)/t4-/m1/s1
InChIKeyMPDVZKPSGUSOJP-SCSAIBSYSA-N
MW187.22 g/mol
LogP0.44
Rot. Bonds3

About 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid

5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid (PubChem CID 130634208) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid
PubChem CID130634208
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid
SMILESN[C@H](CO)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO3S/c8-4(3-9)5-1-2-6(12-5)7(10)11/h1-2,4,9H,3,8H2,(H,10,11)/t4-/m1/s1
InChIKeyMPDVZKPSGUSOJP-SCSAIBSYSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid (CID 130634208) is 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid is N[C@H](CO)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid?
The InChIKey is MPDVZKPSGUSOJP-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-4(3-9)5-1-2-6(12-5)7(10)11/h1-2,4,9H,3,8H2,(H,10,11)/t4-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid?
5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 130634208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).