methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate

C16H32N2O2 — CID 83221825

IUPACmethyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
SMILESCCCNC(C)(CCN1C(C)CCC1CC)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-6-11-17-16(4,15(19)20-5)10-12-18-13(3)8-9-14(18)7-2/h13-14,17H,6-12H2,1-5H3
InChIKeyKFTJMKKRBATBSZ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds8

About methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate

methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate (PubChem CID 83221825) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
PubChem CID83221825
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
SMILESCCCNC(C)(CCN1C(C)CCC1CC)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-6-11-17-16(4,15(19)20-5)10-12-18-13(3)8-9-14(18)7-2/h13-14,17H,6-12H2,1-5H3
InChIKeyKFTJMKKRBATBSZ-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 83222141
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
CID 83221112
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
ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 62122726
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 83227887
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
CID 83221829
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 83222041
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide
CID 83221430
methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
CID 60796248
methyl 2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propylamino)propanoate
CID 79163895

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate (CID 83221825) is methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate is CCCNC(C)(CCN1C(C)CCC1CC)C(=O)OC.
What is the InChIKey of methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate?
The InChIKey is KFTJMKKRBATBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-11-17-16(4,15(19)20-5)10-12-18-13(3)8-9-14(18)7-2/h13-14,17H,6-12H2,1-5H3.
What are the key properties of methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate?
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate has a molecular weight of 284.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate is sourced from PubChem (CID 83221825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).