5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid

C13H24N2O3 — CID 62963713

IUPAC5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN1CCC(NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-15-6-4-11(5-7-15)14-12(16)8-10(2)9-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyXWMQGXCTWVOBNF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid

5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62963713) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62963713
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN1CCC(NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-15-6-4-11(5-7-15)14-12(16)8-10(2)9-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyXWMQGXCTWVOBNF-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

5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865
5-[(1-ethylpyrrolidin-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62965394
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-(1-ethylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62637523
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
N-(1-ethylpiperidin-4-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95335405
N-(1-ethylpiperidin-4-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019949
5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964488
3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 81069420
N-(1-ethylpiperidin-4-yl)-4-hydroxybutanamide
CID 79192481

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid (CID 62963713) is 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid is CCN1CCC(NC(=O)CC(C)CC(=O)O)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is XWMQGXCTWVOBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-15-6-4-11(5-7-15)14-12(16)8-10(2)9-13(17)18/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid?
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic 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 5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).