ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid

C15H24N2O7 — CID 653879

IUPACethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid
SMILESCCOC(=O)C1CCCN(CC(=O)NC2CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C13H22N2O3.C2H2O4/c1-2-18-13(17)10-4-3-7-15(8-10)9-12(16)14-11-5-6-11;3-1(4)2(5)6/h10-11H,2-9H2,1H3,(H,14,16);(H,3,4)(H,5,6)
InChIKeyVJSNYWIWMSZCNP-UHFFFAOYSA-N
MW344.36 g/mol
LogP-0.30
Rot. Bonds5

About ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid

ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid (PubChem CID 653879) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid.

Molecular Properties

Compound Nameethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid
PubChem CID653879
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Nameethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid
SMILESCCOC(=O)C1CCCN(CC(=O)NC2CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C13H22N2O3.C2H2O4/c1-2-18-13(17)10-4-3-7-15(8-10)9-12(16)14-11-5-6-11;3-1(4)2(5)6/h10-11H,2-9H2,1H3,(H,14,16);(H,3,4)(H,5,6)
InChIKeyVJSNYWIWMSZCNP-UHFFFAOYSA-N
XLogP-0.30
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid?
The IUPAC name of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid (CID 653879) is ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid.
What is the SMILES notation for ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid?
The canonical SMILES for ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid is CCOC(=O)C1CCCN(CC(=O)NC2CC2)C1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid?
The InChIKey is VJSNYWIWMSZCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.C2H2O4/c1-2-18-13(17)10-4-3-7-15(8-10)9-12(16)14-11-5-6-11;3-1(4)2(5)6/h10-11H,2-9H2,1H3,(H,14,16);(H,3,4)(H,5,6).
What are the key properties of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid?
ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid has a molecular weight of 344.36 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate;oxalic acid is sourced from PubChem (CID 653879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).