ethyl 5-amino-4-oxopentanoate;hydrochloride

C7H14ClNO3 — CID 22253145

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

About ethyl 5-amino-4-oxopentanoate;hydrochloride

ethyl 5-amino-4-oxopentanoate;hydrochloride (PubChem CID 22253145) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is ethyl 5-amino-4-oxopentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-amino-4-oxopentanoate;hydrochloride
PubChem CID22253145
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Nameethyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCCOC(=O)CCC(=O)CN.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-2-11-7(10)4-3-6(9)5-8;/h2-5,8H2,1H3;1H
InChIKeyMGTYUHPAVHGVQF-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-oxopentanoate;hydrochloride?
The IUPAC name of ethyl 5-amino-4-oxopentanoate;hydrochloride (CID 22253145) is ethyl 5-amino-4-oxopentanoate;hydrochloride.
What is the SMILES notation for ethyl 5-amino-4-oxopentanoate;hydrochloride?
The canonical SMILES for ethyl 5-amino-4-oxopentanoate;hydrochloride is CCOC(=O)CCC(=O)CN.Cl.
What is the InChIKey of ethyl 5-amino-4-oxopentanoate;hydrochloride?
The InChIKey is MGTYUHPAVHGVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-2-11-7(10)4-3-6(9)5-8;/h2-5,8H2,1H3;1H.
What are the key properties of ethyl 5-amino-4-oxopentanoate;hydrochloride?
ethyl 5-amino-4-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-4-oxopentanoate;hydrochloride is sourced from PubChem (CID 22253145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).