ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride

C11H22ClNO2 — CID 138991548

IUPACethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)CC(C(C)(C)C)C1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-5-14-9(13)11(12)6-8(7-11)10(2,3)4;/h8H,5-7,12H2,1-4H3;1H
InChIKeyCBLBVDANJLWGDM-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.12
Rot. Bonds2

About ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride

ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride (PubChem CID 138991548) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride
PubChem CID138991548
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nameethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N)CC(C(C)(C)C)C1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-5-14-9(13)11(12)6-8(7-11)10(2,3)4;/h8H,5-7,12H2,1-4H3;1H
InChIKeyCBLBVDANJLWGDM-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-aminocyclopentane-1-carboxylate hydrochloride
CID 3028134
rac-methyl (1R,2S)-1-amino-2-(propan-2-yl)cyclopropane-1-carboxylate hydrochloride
CID 146155234
Ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate hydrochloride
CID 122163980
Ethyl 2-aminospiro[3.3]heptane-2-carboxylate hydrochloride
CID 138039898
rac-methyl (1R,3S)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate hydrochloride
CID 138991439
1-Amino-3-tert-butylcyclobutane-1-carboxylic acid hydrochloride
CID 138991533
Methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate hydrochloride
CID 146082499
Methyl 2-amino-2-cyclobutylpropanoate hydrochloride
CID 154577542
methyl1-amino-3-tert-butylcyclobutane-1-carboxylatehydrochloride,Mixtureofdiastereomers
CID 155858326
Methyl1-aminospiro[3.3]heptane-1-carboxylatehydrochloride
CID 165692795
Ethyl 1-aminospiro[2.2]pentane-1-carboxylate hydrochloride
CID 167723800
Methyl 5-aminospiro[2.3]hexane-5-carboxylate hydrochloride
CID 176451573

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride (CID 138991548) is ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride is CCOC(=O)C1(N)CC(C(C)(C)C)C1.Cl.
What is the InChIKey of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
The InChIKey is CBLBVDANJLWGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-5-14-9(13)11(12)6-8(7-11)10(2,3)4;/h8H,5-7,12H2,1-4H3;1H.
What are the key properties of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 138991548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).