1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide

C10H19N5O2 — CID 106822803

IUPAC1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide
SMILESCCOC1CC(NCCCN=[N+]=[N-])(C(N)=O)C1
InChIInChI=1S/C10H19N5O2/c1-2-17-8-6-10(7-8,9(11)16)13-4-3-5-14-15-12/h8,13H,2-7H2,1H3,(H2,11,16)
InChIKeyTVEONMMNENJKIC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.70
Rot. Bonds8

About 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide

1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide (PubChem CID 106822803) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide
PubChem CID106822803
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide
SMILESCCOC1CC(NCCCN=[N+]=[N-])(C(N)=O)C1
InChIInChI=1S/C10H19N5O2/c1-2-17-8-6-10(7-8,9(11)16)13-4-3-5-14-15-12/h8,13H,2-7H2,1H3,(H2,11,16)
InChIKeyTVEONMMNENJKIC-UHFFFAOYSA-N
XLogP0.70
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxylic acid
CID 106822798
1-(3-azidopropylamino)-3,5-dimethylcyclohexane-1-carboxamide
CID 66168060
1-(3-azidopropylamino)-3,4-dimethylcyclohexane-1-carboxamide
CID 66167419
1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carbonitrile
CID 106822518
1-(3-azidopropylamino)-4-methylcycloheptane-1-carboxamide
CID 66164955
methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
1-(3-azidopropylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873196
N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166301
4-(3-azidopropylamino)-2-ethyloxane-4-carboxylic acid
CID 66191072
ethyl 1-(3-azidopropylamino)-2-methylcyclopentane-1-carboxylate
CID 66188553
ethyl 4-(3-azidopropylamino)-2-ethyl-2-methyloxane-4-carboxylate
CID 66189933
2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide
CID 115349341

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide?
The IUPAC name of 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide (CID 106822803) is 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide is CCOC1CC(NCCCN=[N+]=[N-])(C(N)=O)C1.
What is the InChIKey of 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide?
The InChIKey is TVEONMMNENJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-2-17-8-6-10(7-8,9(11)16)13-4-3-5-14-15-12/h8,13H,2-7H2,1H3,(H2,11,16).
What are the key properties of 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide?
1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropylamino)-3-ethoxycyclobutane-1-carboxamide is sourced from PubChem (CID 106822803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).