ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride

C9H17ClN2O3 — CID 75526665

IUPACethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
SMILESCCOC(=O)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-14-9(13)8(12)11-5-3-4-7(10)6-11;/h7H,2-6,10H2,1H3;1H
InChIKeyPDOXREJPEGNNCP-UHFFFAOYSA-N
MW236.70 g/mol
LogP-0.08
Rot. Bonds1

About ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride

ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride (PubChem CID 75526665) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
PubChem CID75526665
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Nameethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
SMILESCCOC(=O)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-14-9(13)8(12)11-5-3-4-7(10)6-11;/h7H,2-6,10H2,1H3;1H
InChIKeyPDOXREJPEGNNCP-UHFFFAOYSA-N
XLogP-0.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
CID 62068517
ethyl 2-[3-(aminomethyl)piperidin-1-yl]-2-oxoacetate
CID 117126470
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502
ethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoacetate
CID 79945645
(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one
CID 82234988
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
1-(3-aminopiperidin-1-yl)-2-methylprop-2-en-1-one
CID 123753405
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride?
The IUPAC name of ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride (CID 75526665) is ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride?
The canonical SMILES for ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride is CCOC(=O)C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride?
The InChIKey is PDOXREJPEGNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-2-14-9(13)8(12)11-5-3-4-7(10)6-11;/h7H,2-6,10H2,1H3;1H.
What are the key properties of ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride?
ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride is sourced from PubChem (CID 75526665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).