2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid

C16H30N2O2 — CID 83197238

IUPAC2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(CCCN2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-16(2,15(19)20)14-7-5-10-18(13-14)12-6-11-17-8-3-4-9-17/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyLCCAFGXQPDLRBR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.30
Rot. Bonds6

About 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid (PubChem CID 83197238) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
PubChem CID83197238
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(CCCN2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-16(2,15(19)20)14-7-5-10-18(13-14)12-6-11-17-8-3-4-9-17/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyLCCAFGXQPDLRBR-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[1-(4-methylsulfanylbutyl)piperidin-3-yl]propanoic acid
CID 103090497
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
2-[1-(4-cyanobutyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198148
2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
CID 112590712
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680
2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid
CID 83198145
2-[1-[(1-hydroxycyclohexyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198071
2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198082
2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
CID 83198549
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 114489126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid (CID 83197238) is 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(CCCN2CCCC2)C1.
What is the InChIKey of 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid?
The InChIKey is LCCAFGXQPDLRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,15(19)20)14-7-5-10-18(13-14)12-6-11-17-8-3-4-9-17/h14H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83197238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).