2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid

C15H24N2O4 — CID 83198658

IUPAC2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C15H24N2O4/c1-15(2,14(20)21)11-5-3-7-16(9-11)13(19)10-17-8-4-6-12(17)18/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyXZDYCALHZSYCIS-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.96
Rot. Bonds4

About 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid (PubChem CID 83198658) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
PubChem CID83198658
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C15H24N2O4/c1-15(2,14(20)21)11-5-3-7-16(9-11)13(19)10-17-8-4-6-12(17)18/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyXZDYCALHZSYCIS-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid
CID 83199263
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 79868594
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid (CID 83198658) is 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)CN2CCCC2=O)C1.
What is the InChIKey of 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid?
The InChIKey is XZDYCALHZSYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,14(20)21)11-5-3-7-16(9-11)13(19)10-17-8-4-6-12(17)18/h11H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).