methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate

C11H19NO3 — CID 141200884

IUPACmethyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\OC)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)8-12-11(15-2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/b12-11-
InChIKeyMBFIDMDOXXRCII-QXMHVHEDSA-N
MW213.28 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate

methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate (PubChem CID 141200884) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate
PubChem CID141200884
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate
SMILESCOC(=O)C/N=C(\OC)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-14-10(13)8-12-11(15-2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/b12-11-
InChIKeyMBFIDMDOXXRCII-QXMHVHEDSA-N
XLogP1.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(cyclohexylmethylideneamino)acetate
CID 11480853
2-[[Cyclohexyl(methoxy)methylidene]amino]acetic acid
CID 67131644
2-[[Cyclohexyl(methoxy)methylidene]amino]propanoic acid
CID 69082077
2-cyclohexyl-4H-1,3-oxazol-5-one
CID 91515929
2-tridecan-7-yl-4H-1,3-oxazol-5-one
CID 134433918
2-cyclohexyl-4-methyl-4H-1,3-oxazol-5-one
CID 148285505
Ethyl 2-(cyclohexylmethylideneamino)acetate
CID 11106305

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate?
The IUPAC name of methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate (CID 141200884) is methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate?
The canonical SMILES for methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate is COC(=O)C/N=C(\OC)C1CCCCC1.
What is the InChIKey of methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate?
The InChIKey is MBFIDMDOXXRCII-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-10(13)8-12-11(15-2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/b12-11-.
What are the key properties of methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate?
methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclohexyl(methoxy)methylidene]amino]acetate is sourced from PubChem (CID 141200884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).