1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid

C12H23NO2S — CID 79588358

IUPAC1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)SCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C12H23NO2S/c1-11(2,3)16-8-6-9-5-4-7-12(9,13)10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyWWSOVFFOPOPYQC-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.49
Rot. Bonds4

About 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid

1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid (PubChem CID 79588358) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid
PubChem CID79588358
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)SCCC1CCCC1(N)C(=O)O
InChIInChI=1S/C12H23NO2S/c1-11(2,3)16-8-6-9-5-4-7-12(9,13)10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyWWSOVFFOPOPYQC-UHFFFAOYSA-N
XLogP2.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic 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

Ethyl-aminocyclopentane carboxylic acid
CID 233803
(1S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid
CID 91418230
(1R,2R)-1-amino-2-ethylcyclopentane-1-carboxylic acid
CID 21604496
(1R,2S)-1-Amino-2-ethylcyclopentane-1-carboxylic acid
CID 21604497
(1S,2R)-1-Amino-2-ethylcyclopentane-1-carboxylic acid
CID 45084888
1-Amino-2-ethylcyclopentane-1-carboxylic acid;hydrochloride
CID 67168330
2-Amino-2-cyclohexyl-4-methylsulfanylbutanoic acid
CID 140382207
(2S)-2-amino-2-(2-butylsulfanylethyl)hexanoic acid
CID 140408264
2-Amino-2-cyclopentyl-4-methylsulfanylbutanoic acid
CID 140475020
2-Amino-2-(2-methylsulfanylethyl)decanoic acid
CID 141247502
2-Amino-4-ethyl-2-(2-methylsulfanylethyl)hexanoic acid
CID 141774046
2-Amino-2-ethyl-3-(methylsulfanylmethyl)pentadecanoic acid
CID 142087772

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid (CID 79588358) is 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid is CC(C)(C)SCCC1CCCC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid?
The InChIKey is WWSOVFFOPOPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-11(2,3)16-8-6-9-5-4-7-12(9,13)10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid?
1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid has a molecular weight of 245.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-tert-butylsulfanylethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79588358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).