methyl 5-amino-2-oxopentanoate

C6H11NO3 — CID 140983643

IUPACmethyl 5-amino-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCN
InChIInChI=1S/C6H11NO3/c1-10-6(9)5(8)3-2-4-7/h2-4,7H2,1H3
InChIKeyPQXNFXNQKSKTPE-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.53
Rot. Bonds4

About methyl 5-amino-2-oxopentanoate

methyl 5-amino-2-oxopentanoate (PubChem CID 140983643) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 5-amino-2-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2-oxopentanoate
PubChem CID140983643
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 5-amino-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCN
InChIInChI=1S/C6H11NO3/c1-10-6(9)5(8)3-2-4-7/h2-4,7H2,1H3
InChIKeyPQXNFXNQKSKTPE-UHFFFAOYSA-N
XLogP-0.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.53
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 methyl 5-amino-2-oxopentanoate?
The IUPAC name of methyl 5-amino-2-oxopentanoate (CID 140983643) is methyl 5-amino-2-oxopentanoate.
What is the SMILES notation for methyl 5-amino-2-oxopentanoate?
The canonical SMILES for methyl 5-amino-2-oxopentanoate is COC(=O)C(=O)CCCN.
What is the InChIKey of methyl 5-amino-2-oxopentanoate?
The InChIKey is PQXNFXNQKSKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-6(9)5(8)3-2-4-7/h2-4,7H2,1H3.
What are the key properties of methyl 5-amino-2-oxopentanoate?
methyl 5-amino-2-oxopentanoate has a molecular weight of 145.16 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-oxopentanoate is sourced from PubChem (CID 140983643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).