2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid

C13H21NO2S — CID 65264366

IUPAC2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid
SMILESCC(C)(NCCc1ccsc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21NO2S/c1-12(2,11(15)16)13(3,4)14-7-5-10-6-8-17-9-10/h6,8-9,14H,5,7H2,1-4H3,(H,15,16)
InChIKeyVKHUKPXGASPNNS-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.77
Rot. Bonds6

About 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid

2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid (PubChem CID 65264366) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid
PubChem CID65264366
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid
SMILESCC(C)(NCCc1ccsc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H21NO2S/c1-12(2,11(15)16)13(3,4)14-7-5-10-6-8-17-9-10/h6,8-9,14H,5,7H2,1-4H3,(H,15,16)
InChIKeyVKHUKPXGASPNNS-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
CID 107852268
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
2-(1,3-thiazol-2-yl)-N-(2-thiophen-3-ylethyl)propan-2-amine
CID 103714662
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide
CID 145215422
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397
2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
CID 113270556
4-(2-thiophen-3-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62711532
3,3-dimethyl-4-(2-thiophen-3-ylethylamino)butan-1-ol
CID 106146521
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid (CID 65264366) is 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid is CC(C)(NCCc1ccsc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid?
The InChIKey is VKHUKPXGASPNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-12(2,11(15)16)13(3,4)14-7-5-10-6-8-17-9-10/h6,8-9,14H,5,7H2,1-4H3,(H,15,16).
What are the key properties of 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid?
2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid has a molecular weight of 255.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid is sourced from PubChem (CID 65264366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).