2-[acetyl(thiophen-3-yl)amino]butanoic acid

C10H13NO3S — CID 22492234

IUPAC2-[acetyl(thiophen-3-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C(C)=O)c1ccsc1
InChIInChI=1S/C10H13NO3S/c1-3-9(10(13)14)11(7(2)12)8-4-5-15-6-8/h4-6,9H,3H2,1-2H3,(H,13,14)
InChIKeyDNAVFGQWIMVGMX-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.96
Rot. Bonds4

About 2-[acetyl(thiophen-3-yl)amino]butanoic acid

2-[acetyl(thiophen-3-yl)amino]butanoic acid (PubChem CID 22492234) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[acetyl(thiophen-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[acetyl(thiophen-3-yl)amino]butanoic acid
PubChem CID22492234
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-[acetyl(thiophen-3-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C(C)=O)c1ccsc1
InChIInChI=1S/C10H13NO3S/c1-3-9(10(13)14)11(7(2)12)8-4-5-15-6-8/h4-6,9H,3H2,1-2H3,(H,13,14)
InChIKeyDNAVFGQWIMVGMX-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(thiophen-3-yl)amino]butanoic acid?
The IUPAC name of 2-[acetyl(thiophen-3-yl)amino]butanoic acid (CID 22492234) is 2-[acetyl(thiophen-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-[acetyl(thiophen-3-yl)amino]butanoic acid?
The canonical SMILES for 2-[acetyl(thiophen-3-yl)amino]butanoic acid is CCC(C(=O)O)N(C(C)=O)c1ccsc1.
What is the InChIKey of 2-[acetyl(thiophen-3-yl)amino]butanoic acid?
The InChIKey is DNAVFGQWIMVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-9(10(13)14)11(7(2)12)8-4-5-15-6-8/h4-6,9H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-[acetyl(thiophen-3-yl)amino]butanoic acid?
2-[acetyl(thiophen-3-yl)amino]butanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(thiophen-3-yl)amino]butanoic acid is sourced from PubChem (CID 22492234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).