benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate

C14H16N2O3 — CID 171107393

IUPACbenzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
SMILESO=C(NC12CCC(C1)NC2=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O3/c17-12-14(7-6-11(8-14)15-12)16-13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,16,18)
InChIKeyIQMGEQAZDCKZPL-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.33
Rot. Bonds3

About benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate

benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate (PubChem CID 171107393) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
PubChem CID171107393
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namebenzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
SMILESO=C(NC12CCC(C1)NC2=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O3/c17-12-14(7-6-11(8-14)15-12)16-13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,16,18)
InChIKeyIQMGEQAZDCKZPL-UHFFFAOYSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 117045632
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
CID 134819032
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273
benzyl N-(3-carbamoyl-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)carbamate
CID 171936817
[(3S)-3-methyl-3-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid
CID 122514592
3-(phenylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167724163
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
1-(phenylmethoxycarbonylamino)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 69305582
benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
CID 143923916
benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate
CID 58525708

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
The IUPAC name of benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate (CID 171107393) is benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate.
What is the SMILES notation for benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
The canonical SMILES for benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate is O=C(NC12CCC(C1)NC2=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
The InChIKey is IQMGEQAZDCKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-14(7-6-11(8-14)15-12)16-13(18)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,16,18).
What are the key properties of benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate?
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate has a molecular weight of 260.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate is sourced from PubChem (CID 171107393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).