2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid

C11H16N2O3S — CID 79257193

IUPAC2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)13(6-9(14)15)10(16)12-8-4-5-17-7-8/h4-5,7H,6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyYSZYHZUTFCZMPE-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.47
Rot. Bonds3

About 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid

2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid (PubChem CID 79257193) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid
PubChem CID79257193
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Nc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)13(6-9(14)15)10(16)12-8-4-5-17-7-8/h4-5,7H,6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyYSZYHZUTFCZMPE-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266672
2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66355663
2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
CID 79257648
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79286710
2-[4-chloro-N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66354817
2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79256591
2-[tert-butyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79257269
2-[tert-butyl-[(2,3-dichlorophenyl)carbamoyl]amino]acetic acid
CID 79256587
2-[methyl(thiophen-3-ylcarbamoyl)amino]butanoic acid
CID 66355244
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-tert-butylamino]acetic acid
CID 79256833
2-[(2-bromo-6-fluorophenyl)carbamoyl-tert-butylamino]acetic acid
CID 107601936

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid (CID 79257193) is 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)Nc1ccsc1.
What is the InChIKey of 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is YSZYHZUTFCZMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,3)13(6-9(14)15)10(16)12-8-4-5-17-7-8/h4-5,7H,6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid?
2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 256.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79257193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).