ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate

C12H22N2O3 — CID 62027838

IUPACethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)C(N)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)10-4-6-14(7-5-10)8-9(2)11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15)
InChIKeyWWXAULJTGSQTDL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.38
Rot. Bonds5

About ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate

ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate (PubChem CID 62027838) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate
PubChem CID62027838
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)C(N)=O)CC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)10-4-6-14(7-5-10)8-9(2)11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15)
InChIKeyWWXAULJTGSQTDL-UHFFFAOYSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate (CID 62027838) is ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(C)C(N)=O)CC1.
What is the InChIKey of ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate?
The InChIKey is WWXAULJTGSQTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-12(16)10-4-6-14(7-5-10)8-9(2)11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate?
ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-2-methyl-3-oxopropyl)piperidine-4-carboxylate is sourced from PubChem (CID 62027838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).