ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate

C11H20N2O3 — CID 22692073

IUPACethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN)CC1
InChIInChI=1S/C11H20N2O3/c1-2-16-11(15)9-4-7-13(8-5-9)10(14)3-6-12/h9H,2-8,12H2,1H3
InChIKeySKKKHVMOQCEICK-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.14
Rot. Bonds4

About ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate

ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate (PubChem CID 22692073) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate
PubChem CID22692073
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN)CC1
InChIInChI=1S/C11H20N2O3/c1-2-16-11(15)9-4-7-13(8-5-9)10(14)3-6-12/h9H,2-8,12H2,1H3
InChIKeySKKKHVMOQCEICK-UHFFFAOYSA-N
XLogP0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate (CID 22692073) is ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCN)CC1.
What is the InChIKey of ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate?
The InChIKey is SKKKHVMOQCEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-16-11(15)9-4-7-13(8-5-9)10(14)3-6-12/h9H,2-8,12H2,1H3.
What are the key properties of ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate?
ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-aminopropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 22692073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).