propyl 5-amino-2-oxopentanoate;hydrochloride

C8H16ClNO3 — CID 140983653

IUPACpropyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCCCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-6-12-8(11)7(10)4-3-5-9;/h2-6,9H2,1H3;1H
InChIKeyXYRQFZWRSIVFTM-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.67
Rot. Bonds6

About propyl 5-amino-2-oxopentanoate;hydrochloride

propyl 5-amino-2-oxopentanoate;hydrochloride (PubChem CID 140983653) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is propyl 5-amino-2-oxopentanoate;hydrochloride.

Molecular Properties

Compound Namepropyl 5-amino-2-oxopentanoate;hydrochloride
PubChem CID140983653
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namepropyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCCCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-6-12-8(11)7(10)4-3-5-9;/h2-6,9H2,1H3;1H
InChIKeyXYRQFZWRSIVFTM-UHFFFAOYSA-N
XLogP0.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 propyl 5-amino-2-oxopentanoate;hydrochloride?
The IUPAC name of propyl 5-amino-2-oxopentanoate;hydrochloride (CID 140983653) is propyl 5-amino-2-oxopentanoate;hydrochloride.
What is the SMILES notation for propyl 5-amino-2-oxopentanoate;hydrochloride?
The canonical SMILES for propyl 5-amino-2-oxopentanoate;hydrochloride is CCCOC(=O)C(=O)CCCN.Cl.
What is the InChIKey of propyl 5-amino-2-oxopentanoate;hydrochloride?
The InChIKey is XYRQFZWRSIVFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-6-12-8(11)7(10)4-3-5-9;/h2-6,9H2,1H3;1H.
What are the key properties of propyl 5-amino-2-oxopentanoate;hydrochloride?
propyl 5-amino-2-oxopentanoate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-amino-2-oxopentanoate;hydrochloride is sourced from PubChem (CID 140983653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).