1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride

C9H18ClNO2 — CID 138991533

IUPAC1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride
SMILESCC(C)(C)C1CC(N)(C(=O)O)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-8(2,3)6-4-9(10,5-6)7(11)12;/h6H,4-5,10H2,1-3H3,(H,11,12);1H
InChIKeyWLMOXJRMNHEXDF-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.65
Rot. Bonds1

About 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride

1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 138991533) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride
PubChem CID138991533
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride
SMILESCC(C)(C)C1CC(N)(C(=O)O)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-8(2,3)6-4-9(10,5-6)7(11)12;/h6H,4-5,10H2,1-3H3,(H,11,12);1H
InChIKeyWLMOXJRMNHEXDF-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride (CID 138991533) is 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride is CC(C)(C)C1CC(N)(C(=O)O)C1.Cl.
What is the InChIKey of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is WLMOXJRMNHEXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-8(2,3)6-4-9(10,5-6)7(11)12;/h6H,4-5,10H2,1-3H3,(H,11,12);1H.
What are the key properties of 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride?
1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-tert-butylcyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 138991533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).