1-(3-amino-2-oxopiperidin-1-yl)ethyl formate

C8H14N2O3 — CID 174559614

IUPAC1-(3-amino-2-oxopiperidin-1-yl)ethyl formate
SMILESCC(OC=O)N1CCCC(N)C1=O
InChIInChI=1S/C8H14N2O3/c1-6(13-5-11)10-4-2-3-7(9)8(10)12/h5-7H,2-4,9H2,1H3
InChIKeyYJLCWBMAIYWAOU-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.54
Rot. Bonds3

About 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate

1-(3-amino-2-oxopiperidin-1-yl)ethyl formate (PubChem CID 174559614) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate.

Molecular Properties

Compound Name1-(3-amino-2-oxopiperidin-1-yl)ethyl formate
PubChem CID174559614
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(3-amino-2-oxopiperidin-1-yl)ethyl formate
SMILESCC(OC=O)N1CCCC(N)C1=O
InChIInChI=1S/C8H14N2O3/c1-6(13-5-11)10-4-2-3-7(9)8(10)12/h5-7H,2-4,9H2,1H3
InChIKeyYJLCWBMAIYWAOU-UHFFFAOYSA-N
XLogP-0.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate?
The IUPAC name of 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate (CID 174559614) is 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate.
What is the SMILES notation for 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate?
The canonical SMILES for 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate is CC(OC=O)N1CCCC(N)C1=O.
What is the InChIKey of 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate?
The InChIKey is YJLCWBMAIYWAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(13-5-11)10-4-2-3-7(9)8(10)12/h5-7H,2-4,9H2,1H3.
What are the key properties of 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate?
1-(3-amino-2-oxopiperidin-1-yl)ethyl formate has a molecular weight of 186.21 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-oxopiperidin-1-yl)ethyl formate is sourced from PubChem (CID 174559614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).