2-formamido-3-thiophen-3-ylpropanoic acid

C8H9NO3S — CID 11412969

IUPAC2-formamido-3-thiophen-3-ylpropanoic acid
SMILESO=CNC(Cc1ccsc1)C(=O)O
InChIInChI=1S/C8H9NO3S/c10-5-9-7(8(11)12)3-6-1-2-13-4-6/h1-2,4-5,7H,3H2,(H,9,10)(H,11,12)
InChIKeyKKUSXDCMDBFZML-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.49
Rot. Bonds5

About 2-formamido-3-thiophen-3-ylpropanoic acid

2-formamido-3-thiophen-3-ylpropanoic acid (PubChem CID 11412969) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-formamido-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name2-formamido-3-thiophen-3-ylpropanoic acid
PubChem CID11412969
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-formamido-3-thiophen-3-ylpropanoic acid
SMILESO=CNC(Cc1ccsc1)C(=O)O
InChIInChI=1S/C8H9NO3S/c10-5-9-7(8(11)12)3-6-1-2-13-4-6/h1-2,4-5,7H,3H2,(H,9,10)(H,11,12)
InChIKeyKKUSXDCMDBFZML-UHFFFAOYSA-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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Related Compounds

(alphaS)-alpha-Amino-3-thiophenepropanoic acid
CID 819083
2-Acetamido-2-(3-thienylmethyl)propanedioic acid
CID 268922
(S)-2-{[1-((S)-2-Mercapto-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-3-thiophen-3-yl-propionic acid
CID 10572957
(2S)-2-[[2-(sulfanylmethyl)-3-thiophen-3-ylpropanoyl]amino]propanoic acid
CID 90645550
(2S)-3-hydroxy-2-[[2-(sulfanylmethyl)-3-thiophen-3-ylpropanoyl]amino]propanoic acid
CID 90645551
3-(3-Thienyl)-DL-alanine
CID 95363
2-(((Tert-butoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid
CID 4427602
Methyl 2-amino-3-(thiophen-3-yl)propanoate
CID 19793487
(2S)-2-[[2-[[[(2S)-2-amino-4-methylsulfanylbutyl]disulfanyl]methyl]-3-thiophen-3-ylpropanoyl]amino]propanoic acid
CID 90683338
2-Acetamido-3-(thiophen-3-YL)propanoic acid
CID 321144
2-Amino-3-(thiophen-3-yl)propanoic acid hydrochloride
CID 74764505
3-Thiophen-3-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 328216

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-thiophen-3-ylpropanoic acid?
The IUPAC name of 2-formamido-3-thiophen-3-ylpropanoic acid (CID 11412969) is 2-formamido-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for 2-formamido-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for 2-formamido-3-thiophen-3-ylpropanoic acid is O=CNC(Cc1ccsc1)C(=O)O.
What is the InChIKey of 2-formamido-3-thiophen-3-ylpropanoic acid?
The InChIKey is KKUSXDCMDBFZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-5-9-7(8(11)12)3-6-1-2-13-4-6/h1-2,4-5,7H,3H2,(H,9,10)(H,11,12).
What are the key properties of 2-formamido-3-thiophen-3-ylpropanoic acid?
2-formamido-3-thiophen-3-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 2-formamido-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 11412969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).