methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate

C16H30N2O2 — CID 83221112

IUPACmethyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
SMILESCCC1CCC(C)N1CCC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C16H30N2O2/c1-5-14-9-6-12(2)18(14)11-10-16(3,15(19)20-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3
InChIKeyXBNBWXJPMUPSTJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate

methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate (PubChem CID 83221112) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
PubChem CID83221112
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
SMILESCCC1CCC(C)N1CCC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C16H30N2O2/c1-5-14-9-6-12(2)18(14)11-10-16(3,15(19)20-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3
InChIKeyXBNBWXJPMUPSTJ-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 83221191
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
CID 83221596
methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 83222141
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutan-2-ol
CID 83135393
methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 62330730
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
CID 82699135
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
N-[6-(2-ethyl-5-methylpyrrolidin-1-yl)hexyl]cyclopropanamine
CID 83221067
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate (CID 83221112) is methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate is CCC1CCC(C)N1CCC(C)(NC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate?
The InChIKey is XBNBWXJPMUPSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-14-9-6-12(2)18(14)11-10-16(3,15(19)20-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate?
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate has a molecular weight of 282.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 83221112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).