ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate

C13H24N2O3 — CID 64685754

IUPACethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-12(17)10-5-7-15(8-6-10)11(16)9-13(2,3)14/h10H,4-9,14H2,1-3H3
InChIKeyUFWMMAASAOENKK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.92
Rot. Bonds4

About ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate

ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate (PubChem CID 64685754) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
PubChem CID64685754
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-12(17)10-5-7-15(8-6-10)11(16)9-13(2,3)14/h10H,4-9,14H2,1-3H3
InChIKeyUFWMMAASAOENKK-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
ethyl 1-(4-chlorobutanoyl)piperidine-4-carboxylate
CID 60723356
ethyl 1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 63679178
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate (CID 64685754) is ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(C)(C)N)CC1.
What is the InChIKey of ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate?
The InChIKey is UFWMMAASAOENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-12(17)10-5-7-15(8-6-10)11(16)9-13(2,3)14/h10H,4-9,14H2,1-3H3.
What are the key properties of ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate?
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 64685754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).