benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate

C15H21NO2 — CID 71102274

IUPACbenzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
SMILESCC1C(CNC(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C15H21NO2/c1-11-13(15(11,2)3)9-16-14(17)18-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKeyBHGZSQBNGCVJAL-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.20
Rot. Bonds4

About benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate

benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate (PubChem CID 71102274) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
PubChem CID71102274
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
SMILESCC1C(CNC(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C15H21NO2/c1-11-13(15(11,2)3)9-16-14(17)18-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKeyBHGZSQBNGCVJAL-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3S)-2,2-dimethyl-3-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylic acid
CID 167717134
benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 14526378
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate
CID 167714380
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate?
The IUPAC name of benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate (CID 71102274) is benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate is CC1C(CNC(=O)OCc2ccccc2)C1(C)C.
What is the InChIKey of benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate?
The InChIKey is BHGZSQBNGCVJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-13(15(11,2)3)9-16-14(17)18-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17).
What are the key properties of benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate?
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate is sourced from PubChem (CID 71102274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).