benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate

C13H16N2O2 — CID 19350711

IUPACbenzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESNC1C2CNCC12C(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c14-11-10-6-15-8-13(10,11)12(16)17-7-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,14H2
InChIKeyGXUUTNIETWCVAH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.28
Rot. Bonds3

About benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate

benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 19350711) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID19350711
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namebenzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESNC1C2CNCC12C(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c14-11-10-6-15-8-13(10,11)12(16)17-7-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,14H2
InChIKeyGXUUTNIETWCVAH-UHFFFAOYSA-N
XLogP0.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102602708
azetidine-3-carbonyl chloride;benzyl carbonochloridate
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benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 124556141
benzyl 1,2-dihydroxypiperazine-2-carboxylate
CID 141359574
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
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benzyl (2S)-2-(hydroxymethyl)oxirane-2-carboxylate
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4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650

Frequently Asked Questions

What is the IUPAC name of benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate (CID 19350711) is benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate is NC1C2CNCC12C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is GXUUTNIETWCVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-11-10-6-15-8-13(10,11)12(16)17-7-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8,14H2.
What are the key properties of benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate?
benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-amino-3-azabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 19350711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).