tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate

C11H20N2O3 — CID 69177066

IUPACtert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate
SMILESCN1CCCC(N)(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)11(12)6-5-7-13(4)8(11)14/h5-7,12H2,1-4H3
InChIKeyAESXWQXSPLLMBV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.28
Rot. Bonds1

About tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate

tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate (PubChem CID 69177066) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate
PubChem CID69177066
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate
SMILESCN1CCCC(N)(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)11(12)6-5-7-13(4)8(11)14/h5-7,12H2,1-4H3
InChIKeyAESXWQXSPLLMBV-UHFFFAOYSA-N
XLogP0.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
CID 24729642
(2s)-n,n-Dimethyl-2-(tert-butoxycarbonyl)-piperidine-2-carboxamide
CID 69105637
1-(tert-Butyl) 3-methyl 3-aminopiperidine-1,3-dicarboxylate
CID 83913238
Ethyl 3-amino-2-oxopiperidine-3-carboxylate
CID 101481418
Tert-butyl 3-amino-2,6-dioxopiperidine-3-carboxylate
CID 135207516
methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate
CID 139543943
Methyl 2-amino-4-methyl-2-(morpholine-4-carbonyl)pentanoate
CID 141556916
tert-butyl (2S)-2-amino-2-[2-(dimethylamino)ethylcarbamoyl]hexanoate
CID 142280954
Tert-butyl 2,5-diamino-2-(pyrrolidine-1-carbonyl)pentanoate
CID 151986614
methyl 1-[(2S)-2-aminopropyl]-2-oxopiperidine-3-carboxylate
CID 169655495
Methyl 3-amino-2-oxopiperidine-3-carboxylate
CID 170599404
5-[4-[2-Amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]piperazin-1-yl]pentanoic acid
CID 174635336

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate (CID 69177066) is tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate is CN1CCCC(N)(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate?
The InChIKey is AESXWQXSPLLMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)11(12)6-5-7-13(4)8(11)14/h5-7,12H2,1-4H3.
What are the key properties of tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate?
tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-1-methyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 69177066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).