4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid

C14H25NO3 — CID 18768923

IUPAC4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid
SMILESCC(C)(C)CC(CC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-14(2,3)10-11(13(17)18)9-12(16)15-7-5-4-6-8-15/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyOWXKUSRCIMJZSS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.53
Rot. Bonds4

About 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid

4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid (PubChem CID 18768923) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid
PubChem CID18768923
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid
SMILESCC(C)(C)CC(CC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-14(2,3)10-11(13(17)18)9-12(16)15-7-5-4-6-8-15/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyOWXKUSRCIMJZSS-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
1-Methyl-2-oxopiperidine-4-carboxylic acid
CID 22265446
1-[(Tert-butoxy)carbonyl]-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 57790581
2-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-2-methylpropanoic acid
CID 66887414
2-(1-Tert-butoxycarbonyl-3-methyl-3-piperidyl)acetic acid
CID 115048062
Sdccgsbi-0662776.P001
CID 63123213
1-((Tert-butoxy)carbonyl)-4-(2-oxopropyl)piperidine-4-carboxylic acid
CID 115052268
2-Methyl-2-(1-methylpiperidin-3-yl)propanoic acid hydrochloride
CID 119031002
1-Cyclopentanecarbonyl-4-methyl-piperidine-4-carboxylic acid
CID 63123243

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid (CID 18768923) is 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid is CC(C)(C)CC(CC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid?
The InChIKey is OWXKUSRCIMJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)10-11(13(17)18)9-12(16)15-7-5-4-6-8-15/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid?
4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)pentanoic acid is sourced from PubChem (CID 18768923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).