3-(thiophen-3-ylamino)propanoic acid

C7H9NO2S — CID 19756642

IUPAC3-(thiophen-3-ylamino)propanoic acid
SMILESO=C(O)CCNc1ccsc1
InChIInChI=1S/C7H9NO2S/c9-7(10)1-3-8-6-2-4-11-5-6/h2,4-5,8H,1,3H2,(H,9,10)
InChIKeySRUDMBWJZVPEBG-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.63
Rot. Bonds4

About 3-(thiophen-3-ylamino)propanoic acid

3-(thiophen-3-ylamino)propanoic acid (PubChem CID 19756642) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-(thiophen-3-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(thiophen-3-ylamino)propanoic acid
PubChem CID19756642
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name3-(thiophen-3-ylamino)propanoic acid
SMILESO=C(O)CCNc1ccsc1
InChIInChI=1S/C7H9NO2S/c9-7(10)1-3-8-6-2-4-11-5-6/h2,4-5,8H,1,3H2,(H,9,10)
InChIKeySRUDMBWJZVPEBG-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.63
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-(Thiophen-2-ylamino)propanoic acid
CID 268925
3,3,3-Trifluoro-2-[(thiophen-3-ylamino)methyl]propanoic acid
CID 103255811
2,2-Difluoro-3-[(4-methylthiophen-3-yl)amino]propanoic acid
CID 165462110
2,2-Difluoro-3-[(thiophen-3-yl)amino]propanoic acid
CID 165463839
3-[(2-Chlorothiophen-3-yl)amino]-2,2-difluoropropanoic acid
CID 165466910
3,3-Difluoro-4-[(thiophen-3-yl)amino]butanoic acid
CID 165957027
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 3-(thiophen-3-ylamino)propanoic acid?
The IUPAC name of 3-(thiophen-3-ylamino)propanoic acid (CID 19756642) is 3-(thiophen-3-ylamino)propanoic acid.
What is the SMILES notation for 3-(thiophen-3-ylamino)propanoic acid?
The canonical SMILES for 3-(thiophen-3-ylamino)propanoic acid is O=C(O)CCNc1ccsc1.
What is the InChIKey of 3-(thiophen-3-ylamino)propanoic acid?
The InChIKey is SRUDMBWJZVPEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c9-7(10)1-3-8-6-2-4-11-5-6/h2,4-5,8H,1,3H2,(H,9,10).
What are the key properties of 3-(thiophen-3-ylamino)propanoic acid?
3-(thiophen-3-ylamino)propanoic acid has a molecular weight of 171.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylamino)propanoic acid is sourced from PubChem (CID 19756642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).