ethyl 5-amino-2-oxopentanoate

C7H13NO3 — CID 140983644

IUPACethyl 5-amino-2-oxopentanoate
SMILESCCOC(=O)C(=O)CCCN
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)6(9)4-3-5-8/h2-5,8H2,1H3
InChIKeyKZEDDSWXKBITMO-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.14
Rot. Bonds5

About ethyl 5-amino-2-oxopentanoate

ethyl 5-amino-2-oxopentanoate (PubChem CID 140983644) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 5-amino-2-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2-oxopentanoate
PubChem CID140983644
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 5-amino-2-oxopentanoate
SMILESCCOC(=O)C(=O)CCCN
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)6(9)4-3-5-8/h2-5,8H2,1H3
InChIKeyKZEDDSWXKBITMO-UHFFFAOYSA-N
XLogP-0.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.14
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?
The IUPAC name of ethyl 5-amino-2-oxopentanoate (CID 140983644) is ethyl 5-amino-2-oxopentanoate.
What is the SMILES notation for ethyl 5-amino-2-oxopentanoate?
The canonical SMILES for ethyl 5-amino-2-oxopentanoate is CCOC(=O)C(=O)CCCN.
What is the InChIKey of ethyl 5-amino-2-oxopentanoate?
The InChIKey is KZEDDSWXKBITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-7(10)6(9)4-3-5-8/h2-5,8H2,1H3.
What are the key properties of ethyl 5-amino-2-oxopentanoate?
ethyl 5-amino-2-oxopentanoate has a molecular weight of 159.18 g/mol, XLogP of -0.14, 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 is sourced from PubChem (CID 140983644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).