methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate

C15H25NO3 — CID 79173602

IUPACmethyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C15H25NO3/c1-19-13(17)9-3-2-6-10-16-15(18)14-11-7-4-5-8-12(11)14/h11-12,14H,2-10H2,1H3,(H,16,18)
InChIKeyLYJRESNABNTQMI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds7

About methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate

methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate (PubChem CID 79173602) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
PubChem CID79173602
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C15H25NO3/c1-19-13(17)9-3-2-6-10-16-15(18)14-11-7-4-5-8-12(11)14/h11-12,14H,2-10H2,1H3,(H,16,18)
InChIKeyLYJRESNABNTQMI-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
methyl 6-(oxolane-2-carbonylamino)hexanoate
CID 43404498
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614

Frequently Asked Questions

What is the IUPAC name of methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate?
The IUPAC name of methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate (CID 79173602) is methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate?
The canonical SMILES for methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate is COC(=O)CCCCCNC(=O)C1C2CCCCC21.
What is the InChIKey of methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate?
The InChIKey is LYJRESNABNTQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-19-13(17)9-3-2-6-10-16-15(18)14-11-7-4-5-8-12(11)14/h11-12,14H,2-10H2,1H3,(H,16,18).
What are the key properties of methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate?
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate has a molecular weight of 267.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate is sourced from PubChem (CID 79173602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).