2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid

C12H19NO2S — CID 79623332

IUPAC2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid
SMILESCC(Cc1ccsc1)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H19NO2S/c1-9(6-10-4-5-16-7-10)13-8-12(2,3)11(14)15/h4-5,7,9,13H,6,8H2,1-3H3,(H,14,15)
InChIKeyBLWYFGWEXLOCRC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.38
Rot. Bonds6

About 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid

2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid (PubChem CID 79623332) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid
PubChem CID79623332
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid
SMILESCC(Cc1ccsc1)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H19NO2S/c1-9(6-10-4-5-16-7-10)13-8-12(2,3)11(14)15/h4-5,7,9,13H,6,8H2,1-3H3,(H,14,15)
InChIKeyBLWYFGWEXLOCRC-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
methyl 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzoate
CID 61473251
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N,2,2-trimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 106275795
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid (CID 79623332) is 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid is CC(Cc1ccsc1)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid?
The InChIKey is BLWYFGWEXLOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(6-10-4-5-16-7-10)13-8-12(2,3)11(14)15/h4-5,7,9,13H,6,8H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid?
2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid has a molecular weight of 241.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)propanoic acid is sourced from PubChem (CID 79623332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).