2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid

C15H29NO2 — CID 66092116

IUPAC2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid
SMILESCC(C)(C)C1CCC(CC(=O)O)(C(C)(C)N)CC1
InChIInChI=1S/C15H29NO2/c1-13(2,3)11-6-8-15(9-7-11,10-12(17)18)14(4,5)16/h11H,6-10,16H2,1-5H3,(H,17,18)
InChIKeyZLGVBJDRKCJLJB-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.42
Rot. Bonds3

About 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid

2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid (PubChem CID 66092116) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid
PubChem CID66092116
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid
SMILESCC(C)(C)C1CCC(CC(=O)O)(C(C)(C)N)CC1
InChIInChI=1S/C15H29NO2/c1-13(2,3)11-6-8-15(9-7-11,10-12(17)18)14(4,5)16/h11H,6-10,16H2,1-5H3,(H,17,18)
InChIKeyZLGVBJDRKCJLJB-UHFFFAOYSA-N
XLogP3.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]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

2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66092109
2-[4-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
CID 64526394
2-[3-(2-aminopropan-2-yl)thiolan-3-yl]acetic acid
CID 66089316
2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol
CID 66090275
2-[4-tert-butyl-1-(dimethylamino)cycloheptyl]acetic acid
CID 65094580
2-[3-(2-aminopropan-2-yl)thian-3-yl]acetic acid
CID 66089784
2-(1-amino-3-tert-butylcyclobutyl)acetic acid
CID 174479770
4-tert-butyl-1-prop-2-ynylcyclohexane-1-carboxylic acid
CID 79421701
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate
CID 66099022
4-tert-butyl-1-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxylic acid
CID 79425798
2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid (CID 66092116) is 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid is CC(C)(C)C1CCC(CC(=O)O)(C(C)(C)N)CC1.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid?
The InChIKey is ZLGVBJDRKCJLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2,3)11-6-8-15(9-7-11,10-12(17)18)14(4,5)16/h11H,6-10,16H2,1-5H3,(H,17,18).
What are the key properties of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid?
2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid has a molecular weight of 255.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopropan-2-yl)-4-tert-butylcyclohexyl]acetic acid is sourced from PubChem (CID 66092116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).