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

C13H22N2O5 — CID 61265168

IUPAC2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOC(=O)C1CCCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-20-10(16)9-7-5-6-8-15(9)12(19)14-13(2,3)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyXVBODZHPJPJLJX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.98
Rot. Bonds4

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

2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 61265168) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID61265168
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOC(=O)C1CCCCN1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-20-10(16)9-7-5-6-8-15(9)12(19)14-13(2,3)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyXVBODZHPJPJLJX-UHFFFAOYSA-N
XLogP0.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61267134
2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535126
3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670640
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
6-(2-ethoxycarbonylpiperidin-1-yl)-4,4-dimethyl-5,6-dioxohexanoic acid
CID 70221795
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
CID 59417753
CID 59417753

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 61265168) is 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is CCOC(=O)C1CCCCN1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is XVBODZHPJPJLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-20-10(16)9-7-5-6-8-15(9)12(19)14-13(2,3)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61265168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).