tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate

C15H28N4O2 — CID 109466566

IUPACtert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate
SMILESCC/N=C(/NC1CN(C(=O)OC(C)(C)C)C1)NC1CC1C
InChIInChI=1S/C15H28N4O2/c1-6-16-13(18-12-7-10(12)2)17-11-8-19(9-11)14(20)21-15(3,4)5/h10-12H,6-9H2,1-5H3,(H2,16,17,18)
InChIKeyUWLWHDPDGRCXKV-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate

tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate (PubChem CID 109466566) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate
PubChem CID109466566
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Nametert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate
SMILESCC/N=C(/NC1CN(C(=O)OC(C)(C)C)C1)NC1CC1C
InChIInChI=1S/C15H28N4O2/c1-6-16-13(18-12-7-10(12)2)17-11-8-19(9-11)14(20)21-15(3,4)5/h10-12H,6-9H2,1-5H3,(H2,16,17,18)
InChIKeyUWLWHDPDGRCXKV-UHFFFAOYSA-N
XLogP1.57
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[(N,N'-diethylcarbamimidoyl)amino]azetidine-1-carboxylate
CID 111911190
tert-butyl 3-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109466338
tert-butyl 3-[[N-ethyl-N'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465639
tert-butyl 3-[[N-ethyl-N'-(2-ethylsulfonylethyl)carbamimidoyl]amino]azetidine-1-carboxylate
CID 109467334
tert-butyl 3-[[N'-[3-(dimethylamino)-3-oxopropyl]-N-ethylcarbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465293
tert-butyl 3-[[N-ethyl-N'-(3-methylsulfonylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466026
2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine
CID 111190784
tert-butyl 3-[[N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109465796
tert-butyl 3-[[N-ethyl-N'-(3-methylsulfanylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467035
tert-butyl 3-[[N-ethyl-N'-(3-methoxy-2-methyl-3-oxopropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467353
tert-butyl 3-[[N'-methyl-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466498
tert-butyl 3-[[N-[3-(dimethylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate (CID 109466566) is tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate is CC/N=C(/NC1CN(C(=O)OC(C)(C)C)C1)NC1CC1C.
What is the InChIKey of tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate?
The InChIKey is UWLWHDPDGRCXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-16-13(18-12-7-10(12)2)17-11-8-19(9-11)14(20)21-15(3,4)5/h10-12H,6-9H2,1-5H3,(H2,16,17,18).
What are the key properties of tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 109466566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).