2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid

C7H7F2NO2S — CID 165463839

IUPAC2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNc1ccsc1
InChIInChI=1S/C7H7F2NO2S/c8-7(9,6(11)12)4-10-5-1-2-13-3-5/h1-3,10H,4H2,(H,11,12)
InChIKeyJSWDYNSZTFJNTB-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.88
Rot. Bonds4

About 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid

2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid (PubChem CID 165463839) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid
PubChem CID165463839
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNc1ccsc1
InChIInChI=1S/C7H7F2NO2S/c8-7(9,6(11)12)4-10-5-1-2-13-3-5/h1-3,10H,4H2,(H,11,12)
InChIKeyJSWDYNSZTFJNTB-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thienylalanine
CID 18642059
N-3-Thienylglycine
CID 3023756
(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid
CID 69257255
(2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid
CID 118494952
3,3,3-Trifluoro-2-[(thiophen-3-ylamino)methyl]propanoic acid
CID 103255811
3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide
CID 126985309
2,2-Difluoro-3-[(4-methylthiophen-3-yl)amino]propanoic acid
CID 165462110
3-[(2-Chlorothiophen-3-yl)amino]-2,2-difluoropropanoic acid
CID 165466910
3,3-Difluoro-4-[(thiophen-3-yl)amino]butanoic acid
CID 165957027
3-(Thiophen-3-ylamino)propanoic acid
CID 19756642
2-(Thiophen-3-ylamino)propanoic acid
CID 21868215
(2R)-2-(thiophen-3-ylamino)propanoic acid
CID 22858161

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid (CID 165463839) is 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid is O=C(O)C(F)(F)CNc1ccsc1.
What is the InChIKey of 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid?
The InChIKey is JSWDYNSZTFJNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c8-7(9,6(11)12)4-10-5-1-2-13-3-5/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid?
2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid has a molecular weight of 207.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thiophen-3-ylamino)propanoic acid is sourced from PubChem (CID 165463839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).