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

C16H30N2O3 — CID 83199680

IUPAC2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCCCC(C)N(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-6-8-12(2)17(5)15(21)18-10-7-9-13(11-18)16(3,4)14(19)20/h12-13H,6-11H2,1-5H3,(H,19,20)
InChIKeyJEWWCDBSERVFRI-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.05
Rot. Bonds5

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

2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid (PubChem CID 83199680) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
PubChem CID83199680
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCCCC(C)N(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-6-8-12(2)17(5)15(21)18-10-7-9-13(11-18)16(3,4)14(19)20/h12-13H,6-11H2,1-5H3,(H,19,20)
InChIKeyJEWWCDBSERVFRI-UHFFFAOYSA-N
XLogP3.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199545
2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199957
2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 107146398
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-(hex-1-yn-3-ylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 106232610
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid (CID 83199680) is 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid is CCCC(C)N(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid?
The InChIKey is JEWWCDBSERVFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-8-12(2)17(5)15(21)18-10-7-9-13(11-18)16(3,4)14(19)20/h12-13H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83199680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).