ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate

C12H22N2O3 — CID 62670492

IUPACethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)10-4-6-14(7-5-10)11(15)9(2)8-13/h9-10H,3-8,13H2,1-2H3
InChIKeyGWVRTFFVQMSBPT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.38
Rot. Bonds4

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

ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate (PubChem CID 62670492) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate
PubChem CID62670492
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)10-4-6-14(7-5-10)11(15)9(2)8-13/h9-10H,3-8,13H2,1-2H3
InChIKeyGWVRTFFVQMSBPT-UHFFFAOYSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-methylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate (CID 62670492) is ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)CN)CC1.
What is the InChIKey of ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate?
The InChIKey is GWVRTFFVQMSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-12(16)10-4-6-14(7-5-10)11(15)9(2)8-13/h9-10H,3-8,13H2,1-2H3.
What are the key properties of ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate?
ethyl 1-(3-amino-2-methylpropanoyl)piperidine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.38, 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-2-methylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 62670492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).