2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid

C13H22N2O3 — CID 113430815

IUPAC2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC1(C(=O)N2CCCC2CC(=O)O)CCCCN1
InChIInChI=1S/C13H22N2O3/c1-13(6-2-3-7-14-13)12(18)15-8-4-5-10(15)9-11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyXALKDCXZSMJCGC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds3

About 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 113430815) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID113430815
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC1(C(=O)N2CCCC2CC(=O)O)CCCCN1
InChIInChI=1S/C13H22N2O3/c1-13(6-2-3-7-14-13)12(18)15-8-4-5-10(15)9-11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyXALKDCXZSMJCGC-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 107217940
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
CID 104597165
4-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63219243
2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
CID 129468360
(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 104596359
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid (CID 113430815) is 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid is CC1(C(=O)N2CCCC2CC(=O)O)CCCCN1.
What is the InChIKey of 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is XALKDCXZSMJCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(6-2-3-7-14-13)12(18)15-8-4-5-10(15)9-11(16)17/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 113430815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).