benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate

C14H20N2O2 — CID 135396711

IUPACbenzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
SMILESCC1(CNC(=O)OCc2ccccc2)CC(N)C1
InChIInChI=1S/C14H20N2O2/c1-14(7-12(15)8-14)10-16-13(17)18-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,16,17)
InChIKeyMPUUQCYYEPBMGD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.04
Rot. Bonds4

About benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate

benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate (PubChem CID 135396711) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
PubChem CID135396711
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
SMILESCC1(CNC(=O)OCc2ccccc2)CC(N)C1
InChIInChI=1S/C14H20N2O2/c1-14(7-12(15)8-14)10-16-13(17)18-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,16,17)
InChIKeyMPUUQCYYEPBMGD-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
CID 168763151
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate
CID 167714380
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
bis(benzyl N-(3,3-dimethylcyclobutyl)carbamate);bis(3,3-dimethylcyclobutan-1-amine);propan-2-ol
CID 161347483
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
CID 71102274
benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
The IUPAC name of benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate (CID 135396711) is benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate is CC1(CNC(=O)OCc2ccccc2)CC(N)C1.
What is the InChIKey of benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
The InChIKey is MPUUQCYYEPBMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(7-12(15)8-14)10-16-13(17)18-9-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3,(H,16,17).
What are the key properties of benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate is sourced from PubChem (CID 135396711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).