5-amino-5-oxopentanoic acid;ethane

C7H15NO3 — CID 143031352

IUPAC5-amino-5-oxopentanoic acid;ethane
SMILESCC.NC(=O)CCCC(=O)O
InChIInChI=1S/C5H9NO3.C2H6/c6-4(7)2-1-3-5(8)9;1-2/h1-3H2,(H2,6,7)(H,8,9);1-2H3
InChIKeyIJIDQNWKZLHYAH-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.75
Rot. Bonds4

About 5-amino-5-oxopentanoic acid;ethane

5-amino-5-oxopentanoic acid;ethane (PubChem CID 143031352) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-amino-5-oxopentanoic acid;ethane.

Molecular Properties

Compound Name5-amino-5-oxopentanoic acid;ethane
PubChem CID143031352
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name5-amino-5-oxopentanoic acid;ethane
SMILESCC.NC(=O)CCCC(=O)O
InChIInChI=1S/C5H9NO3.C2H6/c6-4(7)2-1-3-5(8)9;1-2/h1-3H2,(H2,6,7)(H,8,9);1-2H3
InChIKeyIJIDQNWKZLHYAH-UHFFFAOYSA-N
XLogP0.75
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxopentanoic acid;ethane?
The IUPAC name of 5-amino-5-oxopentanoic acid;ethane (CID 143031352) is 5-amino-5-oxopentanoic acid;ethane.
What is the SMILES notation for 5-amino-5-oxopentanoic acid;ethane?
The canonical SMILES for 5-amino-5-oxopentanoic acid;ethane is CC.NC(=O)CCCC(=O)O.
What is the InChIKey of 5-amino-5-oxopentanoic acid;ethane?
The InChIKey is IJIDQNWKZLHYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C2H6/c6-4(7)2-1-3-5(8)9;1-2/h1-3H2,(H2,6,7)(H,8,9);1-2H3.
What are the key properties of 5-amino-5-oxopentanoic acid;ethane?
5-amino-5-oxopentanoic acid;ethane has a molecular weight of 161.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxopentanoic acid;ethane is sourced from PubChem (CID 143031352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).