ethyl 5-amino-2-oxopentanoate;hydrochloride

C7H14ClNO3 — CID 140983651

IUPACethyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6(9)4-3-5-8;/h2-5,8H2,1H3;1H
InChIKeyVVDYLVKHTCVXHU-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.28
Rot. Bonds5

About ethyl 5-amino-2-oxopentanoate;hydrochloride

ethyl 5-amino-2-oxopentanoate;hydrochloride (PubChem CID 140983651) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is ethyl 5-amino-2-oxopentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-amino-2-oxopentanoate;hydrochloride
PubChem CID140983651
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Nameethyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6(9)4-3-5-8;/h2-5,8H2,1H3;1H
InChIKeyVVDYLVKHTCVXHU-UHFFFAOYSA-N
XLogP0.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.28
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 ethyl 5-amino-2-oxopentanoate;hydrochloride?
The IUPAC name of ethyl 5-amino-2-oxopentanoate;hydrochloride (CID 140983651) is ethyl 5-amino-2-oxopentanoate;hydrochloride.
What is the SMILES notation for ethyl 5-amino-2-oxopentanoate;hydrochloride?
The canonical SMILES for ethyl 5-amino-2-oxopentanoate;hydrochloride is CCOC(=O)C(=O)CCCN.Cl.
What is the InChIKey of ethyl 5-amino-2-oxopentanoate;hydrochloride?
The InChIKey is VVDYLVKHTCVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6(9)4-3-5-8;/h2-5,8H2,1H3;1H.
What are the key properties of ethyl 5-amino-2-oxopentanoate;hydrochloride?
ethyl 5-amino-2-oxopentanoate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-oxopentanoate;hydrochloride is sourced from PubChem (CID 140983651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).