benzyl N-(5-aminooxypentyl)carbamate;hydrochloride

C13H21ClN2O3 — CID 165436022

IUPACbenzyl N-(5-aminooxypentyl)carbamate;hydrochloride
SMILESCl.NOCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20N2O3.ClH/c14-18-10-6-2-5-9-15-13(16)17-11-12-7-3-1-4-8-12;/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16);1H
InChIKeyMCZIZDQZLWRWTA-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.40
Rot. Bonds8

About benzyl N-(5-aminooxypentyl)carbamate;hydrochloride

benzyl N-(5-aminooxypentyl)carbamate;hydrochloride (PubChem CID 165436022) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.77 g/mol. Its IUPAC name is benzyl N-(5-aminooxypentyl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(5-aminooxypentyl)carbamate;hydrochloride
PubChem CID165436022
Molecular FormulaC13H21ClN2O3
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC Namebenzyl N-(5-aminooxypentyl)carbamate;hydrochloride
SMILESCl.NOCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20N2O3.ClH/c14-18-10-6-2-5-9-15-13(16)17-11-12-7-3-1-4-8-12;/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16);1H
InChIKeyMCZIZDQZLWRWTA-UHFFFAOYSA-N
XLogP2.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886
3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
benzyl N-(6-methylheptyl)carbamate
CID 59918495
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-aminooxypentyl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(5-aminooxypentyl)carbamate;hydrochloride (CID 165436022) is benzyl N-(5-aminooxypentyl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(5-aminooxypentyl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(5-aminooxypentyl)carbamate;hydrochloride is Cl.NOCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-aminooxypentyl)carbamate;hydrochloride?
The InChIKey is MCZIZDQZLWRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c14-18-10-6-2-5-9-15-13(16)17-11-12-7-3-1-4-8-12;/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16);1H.
What are the key properties of benzyl N-(5-aminooxypentyl)carbamate;hydrochloride?
benzyl N-(5-aminooxypentyl)carbamate;hydrochloride has a molecular weight of 288.77 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-aminooxypentyl)carbamate;hydrochloride is sourced from PubChem (CID 165436022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).