methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate

C11H20N2O2 — CID 59799224

IUPACmethyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1/N=C/CC(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)6-7-12-13-8-4-5-10(13)11(14)15-3/h7,9-10H,4-6,8H2,1-3H3/b12-7+
InChIKeyOLBDXNUBCZLZNN-KPKJPENVSA-N
MW212.29 g/mol
LogP1.66
Rot. Bonds4

About methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate

methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate (PubChem CID 59799224) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate
PubChem CID59799224
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1/N=C/CC(C)C
InChIInChI=1S/C11H20N2O2/c1-9(2)6-7-12-13-8-4-5-10(13)11(14)15-3/h7,9-10H,4-6,8H2,1-3H3/b12-7+
InChIKeyOLBDXNUBCZLZNN-KPKJPENVSA-N
XLogP1.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
CID 114816360
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 70062409
methyl 1-ethenylpyrrolidine-2-carboxylate
CID 144567837
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate (CID 59799224) is methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1/N=C/CC(C)C.
What is the InChIKey of methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate?
The InChIKey is OLBDXNUBCZLZNN-KPKJPENVSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)6-7-12-13-8-4-5-10(13)11(14)15-3/h7,9-10H,4-6,8H2,1-3H3/b12-7+.
What are the key properties of methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate?
methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(E)-3-methylbutylideneamino]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59799224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).