methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate

C10H20N2O2 — CID 83847972

IUPACmethyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C)C(C(C)C)C1N
InChIInChI=1S/C10H20N2O2/c1-6(2)9-8(11)7(5-12(9)3)10(13)14-4/h6-9H,5,11H2,1-4H3
InChIKeyHXSPUUVNRMOORO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.07
Rot. Bonds2

About methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate

methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 83847972) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID83847972
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C)C(C(C)C)C1N
InChIInChI=1S/C10H20N2O2/c1-6(2)9-8(11)7(5-12(9)3)10(13)14-4/h6-9H,5,11H2,1-4H3
InChIKeyHXSPUUVNRMOORO-UHFFFAOYSA-N
XLogP0.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 1-methyl-5-propan-2-ylpiperidine-2-carboxylate
CID 176934666
methyl 1,4-di(propan-2-yl)pyrrolidine-3-carboxylate
CID 167252053
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
methyl 2-amino-5-propan-2-ylcyclohex-3-ene-1-carboxylate
CID 45089407
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 10130414
methyl 2-amino-3-methylcyclopentane-1-carboxylate
CID 54300457
methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
CID 105467059
methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate
CID 89461042
methyl 2,5-di(propan-2-yl)cyclohexane-1-carboxylate
CID 168819317
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 84650185

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate (CID 83847972) is methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate is COC(=O)C1CN(C)C(C(C)C)C1N.
What is the InChIKey of methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is HXSPUUVNRMOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6(2)9-8(11)7(5-12(9)3)10(13)14-4/h6-9H,5,11H2,1-4H3.
What are the key properties of methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate?
methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-methyl-5-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 83847972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).