ethyl 4-aminopiperidine-4-carboxylate;oxalic acid

C10H18N2O6 — CID 3044666

IUPACethyl 4-aminopiperidine-4-carboxylate;oxalic acid
SMILESCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H16N2O2.C2H2O4/c1-2-12-7(11)8(9)3-5-10-6-4-8;3-1(4)2(5)6/h10H,2-6,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyLPWBYGAVRHAQQE-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.21
Rot. Bonds2

About ethyl 4-aminopiperidine-4-carboxylate;oxalic acid

ethyl 4-aminopiperidine-4-carboxylate;oxalic acid (PubChem CID 3044666) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 4-aminopiperidine-4-carboxylate;oxalic acid.

Molecular Properties

Compound Nameethyl 4-aminopiperidine-4-carboxylate;oxalic acid
PubChem CID3044666
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Nameethyl 4-aminopiperidine-4-carboxylate;oxalic acid
SMILESCCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C8H16N2O2.C2H2O4/c1-2-12-7(11)8(9)3-5-10-6-4-8;3-1(4)2(5)6/h10H,2-6,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyLPWBYGAVRHAQQE-UHFFFAOYSA-N
XLogP-1.21
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
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 4-aminopiperidine-4-carboxylate;oxalic acid?
The IUPAC name of ethyl 4-aminopiperidine-4-carboxylate;oxalic acid (CID 3044666) is ethyl 4-aminopiperidine-4-carboxylate;oxalic acid.
What is the SMILES notation for ethyl 4-aminopiperidine-4-carboxylate;oxalic acid?
The canonical SMILES for ethyl 4-aminopiperidine-4-carboxylate;oxalic acid is CCOC(=O)C1(N)CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 4-aminopiperidine-4-carboxylate;oxalic acid?
The InChIKey is LPWBYGAVRHAQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H2O4/c1-2-12-7(11)8(9)3-5-10-6-4-8;3-1(4)2(5)6/h10H,2-6,9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of ethyl 4-aminopiperidine-4-carboxylate;oxalic acid?
ethyl 4-aminopiperidine-4-carboxylate;oxalic acid has a molecular weight of 262.26 g/mol, XLogP of -1.21, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminopiperidine-4-carboxylate;oxalic acid is sourced from PubChem (CID 3044666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).