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

C15H26N2O4 — CID 104594955

IUPAC1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-14(2,3)12(19)16-9-7-11(18)17-10-6-5-8-15(17,4)13(20)21/h5-10H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyMYWPMASEDYGMMY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.39
Rot. Bonds4

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

1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104594955) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104594955
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-14(2,3)12(19)16-9-7-11(18)17-10-6-5-8-15(17,4)13(20)21/h5-10H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyMYWPMASEDYGMMY-UHFFFAOYSA-N
XLogP1.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115270474
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104594792
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid (CID 104594955) is 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid is CC(C)(C)C(=O)NCCC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is MYWPMASEDYGMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,3)12(19)16-9-7-11(18)17-10-6-5-8-15(17,4)13(20)21/h5-10H2,1-4H3,(H,16,19)(H,20,21).
What are the key properties of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid?
1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104594955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).