3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

C14H26N2O3 — CID 55155373

IUPAC3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-15(10-11(2)12(17)18)13(19)16-8-6-14(3,4)7-9-16/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyMGAHMHSUEMYTMX-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.27
Rot. Bonds4

About 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid

3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 55155373) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
PubChem CID55155373
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-15(10-11(2)12(17)18)13(19)16-8-6-14(3,4)7-9-16/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyMGAHMHSUEMYTMX-UHFFFAOYSA-N
XLogP2.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-aminopiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123307
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
3-[ethyl-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 114798871
3-[1,3-dihydroisoindole-2-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62853763
3-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 63142000
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
N,N,4,4-tetraethylpiperidine-1-carboxamide
CID 116655861
2-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62930846
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 62890249
1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126944
3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 83219455
2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-ethylamino]acetic acid
CID 107457328

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid (CID 55155373) is 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is MGAHMHSUEMYTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-15(10-11(2)12(17)18)13(19)16-8-6-14(3,4)7-9-16/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid?
3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55155373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).