N-(2-aminoethyl)oxane-4-carboxamide

C8H16N2O2 — CID 15035312

IUPACN-(2-aminoethyl)oxane-4-carboxamide
SMILESNCCNC(=O)C1CCOCC1
InChIInChI=1S/C8H16N2O2/c9-3-4-10-8(11)7-1-5-12-6-2-7/h7H,1-6,9H2,(H,10,11)
InChIKeyCDYCBIRFDKXKMG-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.51
Rot. Bonds3

About N-(2-aminoethyl)oxane-4-carboxamide

N-(2-aminoethyl)oxane-4-carboxamide (PubChem CID 15035312) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(2-aminoethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)oxane-4-carboxamide
PubChem CID15035312
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(2-aminoethyl)oxane-4-carboxamide
SMILESNCCNC(=O)C1CCOCC1
InChIInChI=1S/C8H16N2O2/c9-3-4-10-8(11)7-1-5-12-6-2-7/h7H,1-6,9H2,(H,10,11)
InChIKeyCDYCBIRFDKXKMG-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)oxane-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)oxane-4-carboxamide (CID 15035312) is N-(2-aminoethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)oxane-4-carboxamide is NCCNC(=O)C1CCOCC1.
What is the InChIKey of N-(2-aminoethyl)oxane-4-carboxamide?
The InChIKey is CDYCBIRFDKXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-3-4-10-8(11)7-1-5-12-6-2-7/h7H,1-6,9H2,(H,10,11).
What are the key properties of N-(2-aminoethyl)oxane-4-carboxamide?
N-(2-aminoethyl)oxane-4-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)oxane-4-carboxamide is sourced from PubChem (CID 15035312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).