5-(hydroxyamino)-2-methyl-5-oxopentanoic acid

C6H11NO4 — CID 91381122

IUPAC5-(hydroxyamino)-2-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)NO)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(6(9)10)2-3-5(8)7-11/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeySPUVGEUVASTDOG-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.01
Rot. Bonds4

About 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid

5-(hydroxyamino)-2-methyl-5-oxopentanoic acid (PubChem CID 91381122) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(hydroxyamino)-2-methyl-5-oxopentanoic acid
PubChem CID91381122
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name5-(hydroxyamino)-2-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)NO)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(6(9)10)2-3-5(8)7-11/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeySPUVGEUVASTDOG-UHFFFAOYSA-N
XLogP-0.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxycarbamoyl-pentanedioic acid
CID 20778210
4-[(Tert-butoxy)carbamoyl]butanoic acid
CID 82719848
N-hydroxyglutaramic
CID 12616795
4-Methylglutaramic acid
CID 21488370
(2S)-5-amino-4-fluoro-2-methyl-5-oxopentanoic acid
CID 90206048
5-Amino-2-methyl-5-oxopentanoic acid
CID 21027321
5-Amino-2,4-dimethyl-5-oxopentanoic acid
CID 88377658
5-Amino-2,2-dimethyl-5-oxopentanoic acid
CID 20703790
5-Amino-3-methyl-5-oxopentanoic acid
CID 23206080
5-Amino-2-ethyl-5-oxopentanoic acid
CID 53867703
(2S)-5-amino-2-methyl-5-oxopentanoic acid
CID 58619967
CID 58774072
CID 58774072

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid (CID 91381122) is 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid is CC(CCC(=O)NO)C(=O)O.
What is the InChIKey of 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid?
The InChIKey is SPUVGEUVASTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(6(9)10)2-3-5(8)7-11/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid?
5-(hydroxyamino)-2-methyl-5-oxopentanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-2-methyl-5-oxopentanoic acid is sourced from PubChem (CID 91381122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).