2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid

C14H26N2O4 — CID 158701552

IUPAC2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)CNC1CCN(C(=O)O)C(C(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-20-12(17)9-15-10-6-7-16(13(18)19)11(8-10)14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,18,19)
InChIKeyMLPHCVDGVBTTBX-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds4

About 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid

2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid (PubChem CID 158701552) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid
PubChem CID158701552
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)CNC1CCN(C(=O)O)C(C(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-20-12(17)9-15-10-6-7-16(13(18)19)11(8-10)14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,18,19)
InChIKeyMLPHCVDGVBTTBX-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-(3-ethoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylic acid
CID 176887134
2-tert-butyl-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]piperidine-1-carboxylic acid
CID 176887128
2-tert-butyl-4-(3-ethoxy-2,2-difluoro-3-oxopropyl)piperidine-1-carboxylic acid
CID 176887195
ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
CID 60681705
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633
2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid
CID 67369153
tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
CID 63303097
ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
CID 55061328
ethyl 2-(thiolan-3-ylamino)acetate
CID 60811995
2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
CID 129275253
2-tert-butyl-4-[(E)-3-methoxy-3-oxoprop-1-enyl]piperidine-1-carboxylic acid
CID 66935479
2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid
CID 146599489

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid (CID 158701552) is 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid is CCOC(=O)CNC1CCN(C(=O)O)C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid?
The InChIKey is MLPHCVDGVBTTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-20-12(17)9-15-10-6-7-16(13(18)19)11(8-10)14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid?
2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 158701552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).