2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

C14H26N2O3 — CID 62930846

IUPAC2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCC(C)(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-6-16(14(4,5)11(17)18)12(19)15-9-7-13(2,3)8-10-15/h6-10H2,1-5H3,(H,17,18)
InChIKeyCJLOGSKKWUYHJL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds3

About 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 62930846) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
PubChem CID62930846
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1CCC(C)(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-6-16(14(4,5)11(17)18)12(19)15-9-7-13(2,3)8-10-15/h6-10H2,1-5H3,(H,17,18)
InChIKeyCJLOGSKKWUYHJL-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(4-methoxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62820761
2-[ethyl(1,4-oxazepane-4-carbonyl)amino]-2-methylpropanoic acid
CID 62967290
2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123412
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[ethyl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-2-methylpropanoic acid
CID 114490393
3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55155373
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 55164584
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62820763
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (CID 62930846) is 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is CCN(C(=O)N1CCC(C)(C)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is CJLOGSKKWUYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-16(14(4,5)11(17)18)12(19)15-9-7-13(2,3)8-10-15/h6-10H2,1-5H3,(H,17,18).
What are the key properties of 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62930846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).