2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride

C8H16ClNO4 — CID 42601890

IUPAC2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCOCCOC(=O)CCC(=O)CN.Cl
InChIInChI=1S/C8H15NO4.ClH/c1-12-4-5-13-8(11)3-2-7(10)6-9;/h2-6,9H2,1H3;1H
InChIKeyIXKYKGMDWDAILY-UHFFFAOYSA-N
MW225.67 g/mol
LogP-0.09
Rot. Bonds7

About 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride

2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride (PubChem CID 42601890) has the molecular formula C8H16ClNO4 and a molecular weight of 225.67 g/mol. Its IUPAC name is 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride.

Molecular Properties

Compound Name2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride
PubChem CID42601890
Molecular FormulaC8H16ClNO4
Molecular Weight225.67 g/mol
Exact Mass225.08
IUPAC Name2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCOCCOC(=O)CCC(=O)CN.Cl
InChIInChI=1S/C8H15NO4.ClH/c1-12-4-5-13-8(11)3-2-7(10)6-9;/h2-6,9H2,1H3;1H
InChIKeyIXKYKGMDWDAILY-UHFFFAOYSA-N
XLogP-0.09
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride?
The IUPAC name of 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride (CID 42601890) is 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride.
What is the SMILES notation for 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride?
The canonical SMILES for 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride is COCCOC(=O)CCC(=O)CN.Cl.
What is the InChIKey of 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride?
The InChIKey is IXKYKGMDWDAILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.ClH/c1-12-4-5-13-8(11)3-2-7(10)6-9;/h2-6,9H2,1H3;1H.
What are the key properties of 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride?
2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride has a molecular weight of 225.67 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-amino-4-oxopentanoate;hydrochloride is sourced from PubChem (CID 42601890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).