2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid

C15H26N2O4 — CID 83199957

IUPAC2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCN(C(=O)N1CCCC(C(C)(C)C(=O)O)C1)C1CCOC1
InChIInChI=1S/C15H26N2O4/c1-15(2,13(18)19)11-5-4-7-17(9-11)14(20)16(3)12-6-8-21-10-12/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyVGFVSWBZDCHYSC-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid (PubChem CID 83199957) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
PubChem CID83199957
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCN(C(=O)N1CCCC(C(C)(C)C(=O)O)C1)C1CCOC1
InChIInChI=1S/C15H26N2O4/c1-15(2,13(18)19)11-5-4-7-17(9-11)14(20)16(3)12-6-8-21-10-12/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyVGFVSWBZDCHYSC-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 82731394
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199545
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
N-methyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 115668205
3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82743066
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid (CID 83199957) is 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid is CN(C(=O)N1CCCC(C(C)(C)C(=O)O)C1)C1CCOC1.
What is the InChIKey of 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid?
The InChIKey is VGFVSWBZDCHYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,13(18)19)11-5-4-7-17(9-11)14(20)16(3)12-6-8-21-10-12/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83199957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).