ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate

C15H22N2O2 — CID 81467504

IUPACethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2)CC(C)N(C)C1
InChIInChI=1S/C15H22N2O2/c1-4-19-14(18)15(10-12(2)17(3)11-15)16-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyLVTUSMSVLBEGHF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.12
Rot. Bonds4

About ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate

ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate (PubChem CID 81467504) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
PubChem CID81467504
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2)CC(C)N(C)C1
InChIInChI=1S/C15H22N2O2/c1-4-19-14(18)15(10-12(2)17(3)11-15)16-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyLVTUSMSVLBEGHF-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81472733
ethyl 3-(2-fluoroanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81468732
ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467706
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
ethyl 3-anilino-1-cyclopropylpyrrolidine-3-carboxylate
CID 62976587
methyl 3-(2-bromoanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81468311
ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467403
ethyl 1-anilino-4-ethylcycloheptane-1-carboxylate
CID 65085501
methyl 1-benzyl-5-methyl-3-(3-methylanilino)pyrrolidine-3-carboxylate
CID 112742902
1-anilino-3-ethoxycyclobutane-1-carboxylic acid
CID 106822581
ethyl 1-(3-bromoanilino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64747242
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate (CID 81467504) is ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate is CCOC(=O)C1(Nc2ccccc2)CC(C)N(C)C1.
What is the InChIKey of ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate?
The InChIKey is LVTUSMSVLBEGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-14(18)15(10-12(2)17(3)11-15)16-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3.
What are the key properties of ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate?
ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 81467504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).