1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid

C13H24N2O3 — CID 43385895

IUPAC1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
SMILESCCCC(C)NC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-5-10(2)14-12(16)9-15-7-4-6-11(8-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyYWZBOYIBYHTTAX-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid

1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid (PubChem CID 43385895) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
PubChem CID43385895
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
SMILESCCCC(C)NC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-5-10(2)14-12(16)9-15-7-4-6-11(8-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyYWZBOYIBYHTTAX-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444451
1-[2-oxo-2-(pentan-2-ylamino)ethyl]azepane-2-carboxylic acid
CID 64564717
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
(3R)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 124693934
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
1-[(3-methylbutanoylamino)methyl]piperidine-3-carboxylic acid
CID 82163406
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid (CID 43385895) is 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid is CCCC(C)NC(=O)CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
The InChIKey is YWZBOYIBYHTTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-10(2)14-12(16)9-15-7-4-6-11(8-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid?
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43385895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).