1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid

C15H26N2O4 — CID 107069683

IUPAC1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-9-7-6-8-17(11(9)13(19)20)12(18)10(2)16-14(21)15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyXSUWZHHPVBJHRQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069683) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107069683
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-9-7-6-8-17(11(9)13(19)20)12(18)10(2)16-14(21)15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyXSUWZHHPVBJHRQ-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137826
1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069679
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118861
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014
3-methyl-1-prop-2-ynoylpiperidine-2-carboxylic acid
CID 107069872
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071445
(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54069364
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid (CID 107069683) is 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid is CC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is XSUWZHHPVBJHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-9-7-6-8-17(11(9)13(19)20)12(18)10(2)16-14(21)15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,21)(H,19,20).
What are the key properties of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).