3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid

C10H13NO3S — CID 57051208

IUPAC3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid
SMILESNC(=O)CCc1ccsc1CCC(=O)O
InChIInChI=1S/C10H13NO3S/c11-9(12)3-1-7-5-6-15-8(7)2-4-10(13)14/h5-6H,1-4H2,(H2,11,12)(H,13,14)
InChIKeyAGCLBOWZWJAFKY-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.18
Rot. Bonds6

About 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid

3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid (PubChem CID 57051208) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid
PubChem CID57051208
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid
SMILESNC(=O)CCc1ccsc1CCC(=O)O
InChIInChI=1S/C10H13NO3S/c11-9(12)3-1-7-5-6-15-8(7)2-4-10(13)14/h5-6H,1-4H2,(H2,11,12)(H,13,14)
InChIKeyAGCLBOWZWJAFKY-UHFFFAOYSA-N
XLogP1.18
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid?
The IUPAC name of 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid (CID 57051208) is 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid?
The canonical SMILES for 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid is NC(=O)CCc1ccsc1CCC(=O)O.
What is the InChIKey of 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid?
The InChIKey is AGCLBOWZWJAFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c11-9(12)3-1-7-5-6-15-8(7)2-4-10(13)14/h5-6H,1-4H2,(H2,11,12)(H,13,14).
What are the key properties of 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid?
3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-3-oxopropyl)thiophen-2-yl]propanoic acid is sourced from PubChem (CID 57051208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).