3-amino-2,3-di(thiophen-3-yl)propanoic acid

C11H11NO2S2 — CID 170871482

IUPAC3-amino-2,3-di(thiophen-3-yl)propanoic acid
SMILESNC(c1ccsc1)C(C(=O)O)c1ccsc1
InChIInChI=1S/C11H11NO2S2/c12-10(8-2-4-16-6-8)9(11(13)14)7-1-3-15-5-7/h1-6,9-10H,12H2,(H,13,14)
InChIKeyWKUQOIAMBDFAGM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-2,3-di(thiophen-3-yl)propanoic acid

3-amino-2,3-di(thiophen-3-yl)propanoic acid (PubChem CID 170871482) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-amino-2,3-di(thiophen-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2,3-di(thiophen-3-yl)propanoic acid
PubChem CID170871482
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name3-amino-2,3-di(thiophen-3-yl)propanoic acid
SMILESNC(c1ccsc1)C(C(=O)O)c1ccsc1
InChIInChI=1S/C11H11NO2S2/c12-10(8-2-4-16-6-8)9(11(13)14)7-1-3-15-5-7/h1-6,9-10H,12H2,(H,13,14)
InChIKeyWKUQOIAMBDFAGM-UHFFFAOYSA-N
XLogP2.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-bromo-2-thiophen-3-ylacetic acid
CID 124578230
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
CID 19756647
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
4-[(S)-amino(thiophen-3-yl)methyl]benzoic acid
CID 171198152
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
2-amino-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoic acid
CID 106435892
4-phenyl-3-thiophen-3-ylpentan-2-one
CID 174672241
(5R)-5-amino-5-thiophen-3-ylpentanoic acid
CID 55264344
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-di(thiophen-3-yl)propanoic acid?
The IUPAC name of 3-amino-2,3-di(thiophen-3-yl)propanoic acid (CID 170871482) is 3-amino-2,3-di(thiophen-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-2,3-di(thiophen-3-yl)propanoic acid?
The canonical SMILES for 3-amino-2,3-di(thiophen-3-yl)propanoic acid is NC(c1ccsc1)C(C(=O)O)c1ccsc1.
What is the InChIKey of 3-amino-2,3-di(thiophen-3-yl)propanoic acid?
The InChIKey is WKUQOIAMBDFAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c12-10(8-2-4-16-6-8)9(11(13)14)7-1-3-15-5-7/h1-6,9-10H,12H2,(H,13,14).
What are the key properties of 3-amino-2,3-di(thiophen-3-yl)propanoic acid?
3-amino-2,3-di(thiophen-3-yl)propanoic acid has a molecular weight of 253.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-di(thiophen-3-yl)propanoic acid is sourced from PubChem (CID 170871482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).