2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid

C12H19NO2S — CID 175704817

IUPAC2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCCCCCN(CC(=O)O)Cc1cccs1
InChIInChI=1S/C12H19NO2S/c1-2-3-4-7-13(10-12(14)15)9-11-6-5-8-16-11/h5-6,8H,2-4,7,9-10H2,1H3,(H,14,15)
InChIKeyAUVCLOSOLXUSQE-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.82
Rot. Bonds8

About 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid

2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid (PubChem CID 175704817) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
PubChem CID175704817
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCCCCCN(CC(=O)O)Cc1cccs1
InChIInChI=1S/C12H19NO2S/c1-2-3-4-7-13(10-12(14)15)9-11-6-5-8-16-11/h5-6,8H,2-4,7,9-10H2,1H3,(H,14,15)
InChIKeyAUVCLOSOLXUSQE-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[pentyl(thiophen-2-ylmethyl)amino]acetic 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-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
2-[bis(thiophen-2-ylmethyl)carbamoyl-butylamino]acetic acid
CID 118113458
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
N-hydroxy-2-[propyl(thiophen-2-ylmethyl)amino]acetamide
CID 59105569
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
ethane;2-pentylthiophene
CID 143883800
3-[hexyl-(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 82325058

Frequently Asked Questions

What is the IUPAC name of 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid (CID 175704817) is 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid is CCCCCN(CC(=O)O)Cc1cccs1.
What is the InChIKey of 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid?
The InChIKey is AUVCLOSOLXUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-3-4-7-13(10-12(14)15)9-11-6-5-8-16-11/h5-6,8H,2-4,7,9-10H2,1H3,(H,14,15).
What are the key properties of 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid?
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid has a molecular weight of 241.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 175704817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).