methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate

C15H29N3O2 — CID 109470016

IUPACmethyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate
SMILESCCC1(CN/C(=N/C)NCCCCC(=O)OC)CCC1
InChIInChI=1S/C15H29N3O2/c1-4-15(9-7-10-15)12-18-14(16-2)17-11-6-5-8-13(19)20-3/h4-12H2,1-3H3,(H2,16,17,18)
InChIKeyMIRQVTOYECBXDL-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.08
Rot. Bonds8

About methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate

methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate (PubChem CID 109470016) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate
PubChem CID109470016
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate
SMILESCCC1(CN/C(=N/C)NCCCCC(=O)OC)CCC1
InChIInChI=1S/C15H29N3O2/c1-4-15(9-7-10-15)12-18-14(16-2)17-11-6-5-8-13(19)20-3/h4-12H2,1-3H3,(H2,16,17,18)
InChIKeyMIRQVTOYECBXDL-UHFFFAOYSA-N
XLogP2.08
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate with MolForge

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Related Compounds

methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990
ethyl 4-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 109469358
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
methyl 7-[[N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]amino]heptanoate
CID 111569491
1-(3-ethoxypropyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469390
methyl 7-[(N'-methyl-N-propylcarbamimidoyl)amino]heptanoate
CID 111226133
1-[(1-ethylcyclobutyl)methyl]-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 109469670
methyl 7-[[N-ethyl-N'-[(1-ethylcyclobutyl)methyl]carbamimidoyl]amino]heptanoate
CID 109469119
N-[3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 109470199
1-[3-(diethylamino)propyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109468661
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
methyl 5-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]pentanoate
CID 111869686

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate?
The IUPAC name of methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate (CID 109470016) is methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate.
What is the SMILES notation for methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate?
The canonical SMILES for methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate is CCC1(CN/C(=N/C)NCCCCC(=O)OC)CCC1.
What is the InChIKey of methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate?
The InChIKey is MIRQVTOYECBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-15(9-7-10-15)12-18-14(16-2)17-11-6-5-8-13(19)20-3/h4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate?
methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate has a molecular weight of 283.42 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate is sourced from PubChem (CID 109470016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).