methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride

C7H15ClN2O2 — CID 156695446

IUPACmethyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride
SMILESCOC(=O)NCC1CC(N)C1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-4-5-2-6(8)3-5;/h5-6H,2-4,8H2,1H3,(H,9,10);1H
InChIKeyDZERQAJFXBFLRU-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.50
Rot. Bonds2

About methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride

methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride (PubChem CID 156695446) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride
PubChem CID156695446
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Namemethyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride
SMILESCOC(=O)NCC1CC(N)C1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-4-5-2-6(8)3-5;/h5-6H,2-4,8H2,1H3,(H,9,10);1H
InChIKeyDZERQAJFXBFLRU-UHFFFAOYSA-N
XLogP0.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride?
The IUPAC name of methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride (CID 156695446) is methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride.
What is the SMILES notation for methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride?
The canonical SMILES for methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride is COC(=O)NCC1CC(N)C1.Cl.
What is the InChIKey of methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride?
The InChIKey is DZERQAJFXBFLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-4-5-2-6(8)3-5;/h5-6H,2-4,8H2,1H3,(H,9,10);1H.
What are the key properties of methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride?
methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-aminocyclobutyl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 156695446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).