1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid

C15H26N2O4 — CID 63123591

IUPAC1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10(16-12(19)14(2,3)4)11(18)17-8-6-15(5,7-9-17)13(20)21/h10H,6-9H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyLUEQGRYUORKDGA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid

1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123591) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123591
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10(16-12(19)14(2,3)4)11(18)17-8-6-15(5,7-9-17)13(20)21/h10H,6-9H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyLUEQGRYUORKDGA-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

1-(2-acetamidopropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 55179299
N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107406191
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54878882
(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118861
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124044
1-[2-(cyclopentanecarbonylamino)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257319
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124592
N-[1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136534159
2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 114329095
1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid
CID 151047348
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid (CID 63123591) is 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid is CC(NC(=O)C(C)(C)C)C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is LUEQGRYUORKDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(16-12(19)14(2,3)4)11(18)17-8-6-15(5,7-9-17)13(20)21/h10H,6-9H2,1-5H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid?
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-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]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).