1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 119167835

IUPAC1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)CCC(=O)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10(2)5-6-12(17)15-8-13(18)16-7-3-4-11(9-16)14(19)20/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyWBEGXTONEBKTCR-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds6

About 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid

1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 119167835) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID119167835
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)CCC(=O)NCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10(2)5-6-12(17)15-8-13(18)16-7-3-4-11(9-16)14(19)20/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyWBEGXTONEBKTCR-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
CID 119378154
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
1-[2-(3-methylbutylsulfanyl)acetyl]piperidine-3-carboxylic acid
CID 119167488
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 99718207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid (CID 119167835) is 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid is CC(C)CCC(=O)NCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is WBEGXTONEBKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)5-6-12(17)15-8-13(18)16-7-3-4-11(9-16)14(19)20/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid?
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).