2-(2-methylpyrrolidin-1-yl)pentanedioic acid

C10H17NO4 — CID 79680347

IUPAC2-(2-methylpyrrolidin-1-yl)pentanedioic acid
SMILESCC1CCCN1C(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-7-3-2-6-11(7)8(10(14)15)4-5-9(12)13/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyUJXDAJOXOANXEN-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.79
Rot. Bonds5

About 2-(2-methylpyrrolidin-1-yl)pentanedioic acid

2-(2-methylpyrrolidin-1-yl)pentanedioic acid (PubChem CID 79680347) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)pentanedioic acid
PubChem CID79680347
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(2-methylpyrrolidin-1-yl)pentanedioic acid
SMILESCC1CCCN1C(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-7-3-2-6-11(7)8(10(14)15)4-5-9(12)13/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyUJXDAJOXOANXEN-UHFFFAOYSA-N
XLogP0.79
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-methylazepan-1-yl)propanoic acid
CID 64693147
5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]hexanoic acid
CID 79680349
2-[4,7-bis(1,3-dicarboxypropyl)-1,4,7-triazonan-1-yl]pentanedioic acid
CID 102518327
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 83042038
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
CID 62933790
4-methyl-6-(2-methylazetidin-1-yl)hexanoic acid
CID 79695733
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
CID 124824394
(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid
CID 147425370
4-(1,4-dicarboxybutyl)-3-methyl-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid
CID 23209455

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)pentanedioic acid?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)pentanedioic acid (CID 79680347) is 2-(2-methylpyrrolidin-1-yl)pentanedioic acid.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)pentanedioic acid?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)pentanedioic acid is CC1CCCN1C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)pentanedioic acid?
The InChIKey is UJXDAJOXOANXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7-3-2-6-11(7)8(10(14)15)4-5-9(12)13/h7-8H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-methylpyrrolidin-1-yl)pentanedioic acid?
2-(2-methylpyrrolidin-1-yl)pentanedioic acid has a molecular weight of 215.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)pentanedioic acid is sourced from PubChem (CID 79680347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).