2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

C14H26N2O3 — CID 55123412

IUPAC2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1C(C)CCCC1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-6-15(14(4,5)12(17)18)13(19)16-10(2)8-7-9-11(16)3/h10-11H,6-9H2,1-5H3,(H,17,18)
InChIKeyVZHRAVCVAPUEKQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.55
Rot. Bonds3

About 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 55123412) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
PubChem CID55123412
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)N1C(C)CCCC1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-6-15(14(4,5)12(17)18)13(19)16-10(2)8-7-9-11(16)3/h10-11H,6-9H2,1-5H3,(H,17,18)
InChIKeyVZHRAVCVAPUEKQ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 83019830
2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62930846
2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62820763
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
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)-propan-2-ylamino]acetic acid
CID 61189877
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
2-[(2-tert-butylcyclohexyl)-ethylamino]-2-methylpropanoic acid
CID 65061717
2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62819730
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]propanoic acid
CID 104967956

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (CID 55123412) is 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is CCN(C(=O)N1C(C)CCCC1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is VZHRAVCVAPUEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-15(14(4,5)12(17)18)13(19)16-10(2)8-7-9-11(16)3/h10-11H,6-9H2,1-5H3,(H,17,18).
What are the key properties of 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55123412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).