3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid

C14H26N2O4 — CID 102963041

IUPAC3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
SMILESCOC1CCCN(C(=O)NC(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)11(8-12(17)18)15-13(19)16-7-5-6-10(9-16)20-4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyRWWPGVDXJKPKSZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds4

About 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid

3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid (PubChem CID 102963041) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
PubChem CID102963041
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
SMILESCOC1CCCN(C(=O)NC(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)11(8-12(17)18)15-13(19)16-7-5-6-10(9-16)20-4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyRWWPGVDXJKPKSZ-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 103927834
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305383
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid (CID 102963041) is 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid is COC1CCCN(C(=O)NC(CC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
The InChIKey is RWWPGVDXJKPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)11(8-12(17)18)15-13(19)16-7-5-6-10(9-16)20-4/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 102963041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).