4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C14H28N2O2 — CID 83221517

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCC1CCC(C)N1C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-6-12-8-7-10(2)16(12)11(3)9-14(4,15-5)13(17)18/h10-12,15H,6-9H2,1-5H3,(H,17,18)
InChIKeyYJOHRJBSYFTUQF-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds6

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid

4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 83221517) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID83221517
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCC1CCC(C)N1C(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-6-12-8-7-10(2)16(12)11(3)9-14(4,15-5)13(17)18/h10-12,15H,6-9H2,1-5H3,(H,17,18)
InChIKeyYJOHRJBSYFTUQF-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 83221834
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 83221191
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83219071
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-(2-ethyl-5-methylpyrrolidin-1-yl)propanehydrazide
CID 83223630
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 83221517) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CCC1CCC(C)N1C(C)CC(C)(NC)C(=O)O.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is YJOHRJBSYFTUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-12-8-7-10(2)16(12)11(3)9-14(4,15-5)13(17)18/h10-12,15H,6-9H2,1-5H3,(H,17,18).
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 83221517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).