4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid

C12H18N2O3S — CID 66355446

IUPAC4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)14(6-3-4-11(15)16)12(17)13-10-5-7-18-8-10/h5,7-9H,3-4,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyURYLGKJPMUKUTH-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.86
Rot. Bonds6

About 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid

4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid (PubChem CID 66355446) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid
PubChem CID66355446
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)14(6-3-4-11(15)16)12(17)13-10-5-7-18-8-10/h5,7-9H,3-4,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyURYLGKJPMUKUTH-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid (CID 66355446) is 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)Nc1ccsc1.
What is the InChIKey of 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
The InChIKey is URYLGKJPMUKUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)14(6-3-4-11(15)16)12(17)13-10-5-7-18-8-10/h5,7-9H,3-4,6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid?
4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(thiophen-3-ylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 66355446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).