methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride

C10H18ClNO2 — CID 138991482

IUPACmethyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC(C2CCC2)C1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-9(12)10(11)5-8(6-10)7-3-2-4-7;/h7-8H,2-6,11H2,1H3;1H
InChIKeyMIIPEUDVOCGHQE-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.49
Rot. Bonds2

About methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride

methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride (PubChem CID 138991482) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
PubChem CID138991482
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namemethyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC(C2CCC2)C1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-9(12)10(11)5-8(6-10)7-3-2-4-7;/h7-8H,2-6,11H2,1H3;1H
InChIKeyMIIPEUDVOCGHQE-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-aminocycloheptane-1-carboxylate hydrochloride
CID 42614177
Methyl 2-aminospiro(3.3)heptane-2-carboxylate hydrochloride
CID 121207563
Ethyl 2-aminospiro[3.3]heptane-2-carboxylate hydrochloride
CID 138039898
Methyl 2-aminospiro[3.5]nonane-2-carboxylate hydrochloride
CID 146049470
Methyl 2-aminospiro(3.4)octane-2-carboxylate hydrochloride
CID 146108129
Methyl 2-amino-2-cyclobutylpropanoate hydrochloride
CID 154577542
Methyl 2-amino-6-methoxyspiro[3.3]heptane-2-carboxylate hydrochloride
CID 155820359
methyl1-amino-3-tert-butylcyclobutane-1-carboxylatehydrochloride,Mixtureofdiastereomers
CID 155858326
Methyl 6-aminobicyclo[3.2.0]heptane-6-carboxylate hydrochloride
CID 165469564
Methyl (2S)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propanoate hydrochloride
CID 165689442
Methyl1-aminospiro[3.3]heptane-1-carboxylatehydrochloride
CID 165692795
Methyl 2-amino-2-(spiro(3.3)heptan-2-yl)acetate hydrochloride
CID 165993081

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride (CID 138991482) is methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride is COC(=O)C1(N)CC(C2CCC2)C1.Cl.
What is the InChIKey of methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride?
The InChIKey is MIIPEUDVOCGHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-13-9(12)10(11)5-8(6-10)7-3-2-4-7;/h7-8H,2-6,11H2,1H3;1H.
What are the key properties of methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride?
methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 138991482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).