5-(methoxyamino)-5-oxopentanoic acid

C6H11NO4 — CID 64974146

IUPAC5-(methoxyamino)-5-oxopentanoic acid
SMILESCONC(=O)CCCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-7-5(8)3-2-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyQPKMKFKSYJZWQZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.08
Rot. Bonds5

About 5-(methoxyamino)-5-oxopentanoic acid

5-(methoxyamino)-5-oxopentanoic acid (PubChem CID 64974146) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(methoxyamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(methoxyamino)-5-oxopentanoic acid
PubChem CID64974146
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name5-(methoxyamino)-5-oxopentanoic acid
SMILESCONC(=O)CCCC(=O)O
InChIInChI=1S/C6H11NO4/c1-11-7-5(8)3-2-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyQPKMKFKSYJZWQZ-UHFFFAOYSA-N
XLogP-0.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(methoxyamino)-4-oxobutanoic acid
CID 64974135
4-iodo-N-methoxybutanamide
CID 141466825
N-methoxy-5-oxopentanamide
CID 91086399
6-chloro-N-methoxyhexanamide
CID 90073847
CID 87067075
CID 87067075
N-methoxy-4-oxobutanamide
CID 126994320
[4-(methoxyamino)-4-oxobutyl]phosphonic acid
CID 71458600
N-methoxy-9-oxononanamide
CID 144851599
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
N-methoxy-7-methyloctanamide
CID 174552254
5-methoxy-5-sulfanylidenepentanoic acid
CID 141141448
acetamide;pentanedioic acid
CID 160895913

Frequently Asked Questions

What is the IUPAC name of 5-(methoxyamino)-5-oxopentanoic acid?
The IUPAC name of 5-(methoxyamino)-5-oxopentanoic acid (CID 64974146) is 5-(methoxyamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(methoxyamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(methoxyamino)-5-oxopentanoic acid is CONC(=O)CCCC(=O)O.
What is the InChIKey of 5-(methoxyamino)-5-oxopentanoic acid?
The InChIKey is QPKMKFKSYJZWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-11-7-5(8)3-2-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 5-(methoxyamino)-5-oxopentanoic acid?
5-(methoxyamino)-5-oxopentanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyamino)-5-oxopentanoic acid is sourced from PubChem (CID 64974146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).