pentyl 5-amino-4-oxopentanoate

C10H19NO3 — CID 10130405

IUPACpentyl 5-amino-4-oxopentanoate
SMILESCCCCCOC(=O)CCC(=O)CN
InChIInChI=1S/C10H19NO3/c1-2-3-4-7-14-10(13)6-5-9(12)8-11/h2-8,11H2,1H3
InChIKeyXVNIJEYEHHBPPR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.03
Rot. Bonds8

About pentyl 5-amino-4-oxopentanoate

pentyl 5-amino-4-oxopentanoate (PubChem CID 10130405) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is pentyl 5-amino-4-oxopentanoate.

Molecular Properties

Compound Namepentyl 5-amino-4-oxopentanoate
PubChem CID10130405
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepentyl 5-amino-4-oxopentanoate
SMILESCCCCCOC(=O)CCC(=O)CN
InChIInChI=1S/C10H19NO3/c1-2-3-4-7-14-10(13)6-5-9(12)8-11/h2-8,11H2,1H3
InChIKeyXVNIJEYEHHBPPR-UHFFFAOYSA-N
XLogP1.03
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 pentyl 5-amino-4-oxopentanoate?
The IUPAC name of pentyl 5-amino-4-oxopentanoate (CID 10130405) is pentyl 5-amino-4-oxopentanoate.
What is the SMILES notation for pentyl 5-amino-4-oxopentanoate?
The canonical SMILES for pentyl 5-amino-4-oxopentanoate is CCCCCOC(=O)CCC(=O)CN.
What is the InChIKey of pentyl 5-amino-4-oxopentanoate?
The InChIKey is XVNIJEYEHHBPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-4-7-14-10(13)6-5-9(12)8-11/h2-8,11H2,1H3.
What are the key properties of pentyl 5-amino-4-oxopentanoate?
pentyl 5-amino-4-oxopentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 5-amino-4-oxopentanoate is sourced from PubChem (CID 10130405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).