2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid

C7H9NO3S — CID 22572131

IUPAC2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid
SMILESNC(CO)(C(=O)O)c1cccs1
InChIInChI=1S/C7H9NO3S/c8-7(4-9,6(10)11)5-2-1-3-12-5/h1-3,9H,4,8H2,(H,10,11)
InChIKeyGRSVXXBCCHMHKZ-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.02
Rot. Bonds3

About 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid

2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid (PubChem CID 22572131) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid
PubChem CID22572131
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid
SMILESNC(CO)(C(=O)O)c1cccs1
InChIInChI=1S/C7H9NO3S/c8-7(4-9,6(10)11)5-2-1-3-12-5/h1-3,9H,4,8H2,(H,10,11)
InChIKeyGRSVXXBCCHMHKZ-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid (CID 22572131) is 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid is NC(CO)(C(=O)O)c1cccs1.
What is the InChIKey of 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid?
The InChIKey is GRSVXXBCCHMHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-7(4-9,6(10)11)5-2-1-3-12-5/h1-3,9H,4,8H2,(H,10,11).
What are the key properties of 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid?
2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid has a molecular weight of 187.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 22572131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).