2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

C12H22N2O3 — CID 61267134

IUPAC2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1CCCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-9-7-5-6-8-14(9)11(17)13-12(2,3)10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyJUUKBJYKMCVWCA-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.82
Rot. Bonds3

About 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 61267134) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID61267134
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1CCCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-9-7-5-6-8-14(9)11(17)13-12(2,3)10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyJUUKBJYKMCVWCA-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
2-[(2-ethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801729
3-[(2-ethylazepane-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113441841
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 55128241
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
2-[[(2-ethylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 104691013
2-ethylazepane-1-carbohydrazide
CID 104691127
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 79804147

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 61267134) is 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is CCC1CCCCN1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is JUUKBJYKMCVWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-9-7-5-6-8-14(9)11(17)13-12(2,3)10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61267134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).