2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid

C15H28N2O4 — CID 107393953

IUPAC2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-5-15(6-2,12(18)19)10-16-13(20)17-9-7-8-14(3,11-17)21-4/h5-11H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyDNUZPTALRAZDCO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds6

About 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid (PubChem CID 107393953) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
PubChem CID107393953
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N1CCCC(C)(OC)C1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-5-15(6-2,12(18)19)10-16-13(20)17-9-7-8-14(3,11-17)21-4/h5-11H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyDNUZPTALRAZDCO-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid with MolForge

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Related Compounds

1-[2-(2,2-Dimethylbutanoyloxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 20761262
1-(2-Methoxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 28512975
4,4-Dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid
CID 107473765
1-[(2-Methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43135722
3-[(4-Methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 55105168
1-(2-Methoxyethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 55164729
1-[(2-Methoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55165498
1-(1-Ethoxypropan-2-ylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 55176412
1-[(2-Methoxy-2-oxoethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55177564
1-[(3-Methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55177760
4-Ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
CID 55178350
3-[(4-Methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 61193734

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid (CID 107393953) is 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)N1CCCC(C)(OC)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The InChIKey is DNUZPTALRAZDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-15(6-2,12(18)19)10-16-13(20)17-9-7-8-14(3,11-17)21-4/h5-11H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 107393953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).