5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid

C14H26N2O4 — CID 107393924

IUPAC5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
SMILESCOC1(C)CCCN(C(=O)NCCCC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-11(12(17)18)6-4-8-15-13(19)16-9-5-7-14(2,10-16)20-3/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRRINAPQHPDSTCO-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid

5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 107393924) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
PubChem CID107393924
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
SMILESCOC1(C)CCCN(C(=O)NCCCC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-11(12(17)18)6-4-8-15-13(19)16-9-5-7-14(2,10-16)20-3/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyRRINAPQHPDSTCO-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63834067
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 79609435
(3R)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81120149
(3S)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125966
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919064
(3S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 105919203
2-[1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 105919212
(3R)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114128630
1-[2-(Trifluoromethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122011448
5-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122081
1-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123575
5-Methyl-1-[2-(trifluoromethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123580

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid (CID 107393924) is 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid is COC1(C)CCCN(C(=O)NCCCC(C)C(=O)O)C1.
What is the InChIKey of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is RRINAPQHPDSTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(12(17)18)6-4-8-15-13(19)16-9-5-7-14(2,10-16)20-3/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid?
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 107393924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).