5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid

C14H26N2O3 — CID 126445732

IUPAC5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid
SMILESCN(C[C@H]1CCN(C)C1(C)C)C(=O)CCCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2)11(8-9-16(14)4)10-15(3)12(17)6-5-7-13(18)19/h11H,5-10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyJIXJBZIBLBMSJO-LLVKDONJSA-N
MW270.37 g/mol
LogP1.43
Rot. Bonds6

About 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid

5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid (PubChem CID 126445732) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid
PubChem CID126445732
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid
SMILESCN(C[C@H]1CCN(C)C1(C)C)C(=O)CCCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2)11(8-9-16(14)4)10-15(3)12(17)6-5-7-13(18)19/h11H,5-10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyJIXJBZIBLBMSJO-LLVKDONJSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide
CID 125168045
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
CID 60950966
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60950165
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
CID 63207758
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
CID 117017383
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
2-(1,2,2,3-tetramethylpiperidin-4-yl)decanedioic acid
CID 19936177
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
5-[hydroxy(methyl)amino]-5-oxopentanoic acid
CID 46224091
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid (CID 126445732) is 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid is CN(C[C@H]1CCN(C)C1(C)C)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid?
The InChIKey is JIXJBZIBLBMSJO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2)11(8-9-16(14)4)10-15(3)12(17)6-5-7-13(18)19/h11H,5-10H2,1-4H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid?
5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 126445732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).