ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate

C14H23NO3 — CID 79209644

IUPACethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)C1C2CCCCC21
InChIInChI=1S/C14H23NO3/c1-3-18-12(16)8-9-15(2)14(17)13-10-6-4-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyFZVZZAFEWHFLBK-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.83
Rot. Bonds5

About ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate

ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate (PubChem CID 79209644) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
PubChem CID79209644
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)C1C2CCCCC21
InChIInChI=1S/C14H23NO3/c1-3-18-12(16)8-9-15(2)14(17)13-10-6-4-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyFZVZZAFEWHFLBK-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
CID 79601174
cis-(1S,2R)-2-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092193
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79796106
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 81483380
methyl 4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoate
CID 79600655
(2R,5S)-5-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945135
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
CID 106703666
methyl 3-[(2,2-dimethylcyclohexanecarbonyl)-methylamino]propanoate
CID 107181232
ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate (CID 79209644) is ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate is CCOC(=O)CCN(C)C(=O)C1C2CCCCC21.
What is the InChIKey of ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate?
The InChIKey is FZVZZAFEWHFLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-18-12(16)8-9-15(2)14(17)13-10-6-4-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate?
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate has a molecular weight of 253.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate is sourced from PubChem (CID 79209644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).