(2R)-2-formamido-3-thiophen-2-ylpropanoic acid

C8H9NO3S — CID 18394418

IUPAC(2R)-2-formamido-3-thiophen-2-ylpropanoic acid
SMILESO=CN[C@H](Cc1cccs1)C(=O)O
InChIInChI=1S/C8H9NO3S/c10-5-9-7(8(11)12)4-6-2-1-3-13-6/h1-3,5,7H,4H2,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyHBYVYTYLQPMCAF-SSDOTTSWSA-N
MW199.23 g/mol
LogP0.49
Rot. Bonds5

About (2R)-2-formamido-3-thiophen-2-ylpropanoic acid

(2R)-2-formamido-3-thiophen-2-ylpropanoic acid (PubChem CID 18394418) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is (2R)-2-formamido-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-formamido-3-thiophen-2-ylpropanoic acid
PubChem CID18394418
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name(2R)-2-formamido-3-thiophen-2-ylpropanoic acid
SMILESO=CN[C@H](Cc1cccs1)C(=O)O
InChIInChI=1S/C8H9NO3S/c10-5-9-7(8(11)12)4-6-2-1-3-13-6/h1-3,5,7H,4H2,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyHBYVYTYLQPMCAF-SSDOTTSWSA-N
XLogP0.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-formamido-3-thiophen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-formamido-3-thiophen-2-ylpropanoic acid (CID 18394418) is (2R)-2-formamido-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-formamido-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-formamido-3-thiophen-2-ylpropanoic acid is O=CN[C@H](Cc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-formamido-3-thiophen-2-ylpropanoic acid?
The InChIKey is HBYVYTYLQPMCAF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-5-9-7(8(11)12)4-6-2-1-3-13-6/h1-3,5,7H,4H2,(H,9,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-formamido-3-thiophen-2-ylpropanoic acid?
(2R)-2-formamido-3-thiophen-2-ylpropanoic acid has a molecular weight of 199.23 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-formamido-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 18394418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).