3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid

C17H19NO2S — CID 43787522

IUPAC3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C17H19NO2S/c19-17(20)11-15(16-6-3-9-21-16)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-6,9,14-15,18H,7-8,10-11H2,(H,19,20)
InChIKeyMBYKCQROOHOQQJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.41
Rot. Bonds5

About 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid

3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid (PubChem CID 43787522) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid
PubChem CID43787522
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C17H19NO2S/c19-17(20)11-15(16-6-3-9-21-16)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-6,9,14-15,18H,7-8,10-11H2,(H,19,20)
InChIKeyMBYKCQROOHOQQJ-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic 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-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43787540
3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 43727742
3-thiophen-2-yl-3-[(3,3,5-trimethylcyclohexyl)amino]propanoic acid
CID 43727712
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-3-thiophen-2-ylpropanoic acid
CID 62842660
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 65264312
3-[(2-amino-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61266982
3-(2,3-dihydro-1H-indene-4-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 167960254
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid (CID 43787522) is 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC1CCc2ccccc2C1)c1cccs1.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid?
The InChIKey is MBYKCQROOHOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(20)11-15(16-6-3-9-21-16)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-6,9,14-15,18H,7-8,10-11H2,(H,19,20).
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid?
3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid has a molecular weight of 301.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 43787522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).