methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate

C10H19N3O2 — CID 110930156

IUPACmethyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
SMILESCOC(=O)CCCC/N=C(\N)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-15-9(14)4-2-3-7-12-10(11)13-8-5-6-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyFJFGMTXJLQAEPI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.40
Rot. Bonds6

About methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate

methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate (PubChem CID 110930156) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
PubChem CID110930156
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Namemethyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
SMILESCOC(=O)CCCC/N=C(\N)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-15-9(14)4-2-3-7-12-10(11)13-8-5-6-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyFJFGMTXJLQAEPI-UHFFFAOYSA-N
XLogP0.40
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.40
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'}

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Related Compounds

4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
propan-2-yl 4-[[amino-(cyclohexylamino)methylidene]amino]butanoate;hydroiodide
CID 110062086
methyl 7-[[amino-(tert-butylamino)methylidene]amino]heptanoate
CID 111040535
ethyl 4-[[N'-(4-ethoxy-4-oxobutyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111025635
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
CID 111435809
methyl 6-[[amino-(tert-butylamino)methylidene]amino]hexanoate;hydroiodide
CID 111029119
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111435808
methyl 6-[[(cyclohexylamino)-(ethylamino)methylidene]amino]hexanoate;hydroiodide
CID 110958462
ethyl 4-[[N'-(3-methylsulfonylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111067190
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
1-cyclohexyl-2-octylguanidine
CID 113337391

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate?
The IUPAC name of methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate (CID 110930156) is methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate.
What is the SMILES notation for methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate?
The canonical SMILES for methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate is COC(=O)CCCC/N=C(\N)NC1CC1.
What is the InChIKey of methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate?
The InChIKey is FJFGMTXJLQAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-15-9(14)4-2-3-7-12-10(11)13-8-5-6-8/h8H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate?
methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate has a molecular weight of 213.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate is sourced from PubChem (CID 110930156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).