2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid

C9H13NO2S — CID 61001579

IUPAC2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESCC(C)(NCc1cccs1)C(=O)O
InChIInChI=1S/C9H13NO2S/c1-9(2,8(11)12)10-6-7-4-3-5-13-7/h3-5,10H,6H2,1-2H3,(H,11,12)
InChIKeyZYJXLYQZOPKGAD-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.70
Rot. Bonds4

About 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid

2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid (PubChem CID 61001579) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
PubChem CID61001579
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESCC(C)(NCc1cccs1)C(=O)O
InChIInChI=1S/C9H13NO2S/c1-9(2,8(11)12)10-6-7-4-3-5-13-7/h3-5,10H,6H2,1-2H3,(H,11,12)
InChIKeyZYJXLYQZOPKGAD-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(thiophen-2-ylmethylamino)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

N,N,2-trimethyl-2-(thiophen-2-ylmethylamino)propanamide
CID 115618443
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443
3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
CID 66165551
2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid
CID 63944724
2-(4-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001696
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid (CID 61001579) is 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid is CC(C)(NCc1cccs1)C(=O)O.
What is the InChIKey of 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid?
The InChIKey is ZYJXLYQZOPKGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(2,8(11)12)10-6-7-4-3-5-13-7/h3-5,10H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid?
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid has a molecular weight of 199.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 61001579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).