benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate

C13H18N4O3 — CID 163966930

IUPACbenzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate
SMILESN/N=N/CC1(O)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N4O3/c14-17-15-9-13(19)6-11(7-13)16-12(18)20-8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2,(H2,14,15)(H,16,18)
InChIKeySRMZQHARHHTPDU-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.13
Rot. Bonds5

About benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate

benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate (PubChem CID 163966930) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate
PubChem CID163966930
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Namebenzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate
SMILESN/N=N/CC1(O)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N4O3/c14-17-15-9-13(19)6-11(7-13)16-12(18)20-8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2,(H2,14,15)(H,16,18)
InChIKeySRMZQHARHHTPDU-UHFFFAOYSA-N
XLogP1.13
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 124556141
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
CID 171991675

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate (CID 163966930) is benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate is N/N=N/CC1(O)CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate?
The InChIKey is SRMZQHARHHTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c14-17-15-9-13(19)6-11(7-13)16-12(18)20-8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2,(H2,14,15)(H,16,18).
What are the key properties of benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate?
benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate has a molecular weight of 278.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate is sourced from PubChem (CID 163966930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).