N,4-dihydroxy-N-methyl-3-oxopentanamide

C6H11NO4 — CID 20659480

IUPACN,4-dihydroxy-N-methyl-3-oxopentanamide
SMILESCC(O)C(=O)CC(=O)N(C)O
InChIInChI=1S/C6H11NO4/c1-4(8)5(9)3-6(10)7(2)11/h4,8,11H,3H2,1-2H3
InChIKeyRVCGVIJFISVELS-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.83
Rot. Bonds3

About N,4-dihydroxy-N-methyl-3-oxopentanamide

N,4-dihydroxy-N-methyl-3-oxopentanamide (PubChem CID 20659480) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is N,4-dihydroxy-N-methyl-3-oxopentanamide.

Molecular Properties

Compound NameN,4-dihydroxy-N-methyl-3-oxopentanamide
PubChem CID20659480
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC NameN,4-dihydroxy-N-methyl-3-oxopentanamide
SMILESCC(O)C(=O)CC(=O)N(C)O
InChIInChI=1S/C6H11NO4/c1-4(8)5(9)3-6(10)7(2)11/h4,8,11H,3H2,1-2H3
InChIKeyRVCGVIJFISVELS-UHFFFAOYSA-N
XLogP-0.83
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dihydroxy-N,N'-dimethylpropanediamide
CID 20659482
ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate
CID 10057807
N-hydroxy-N-methyl-2-(methylamino)acetamide
CID 131096928
N,N-dimethylethanamine;2-hydroxypropanoic acid
CID 174810971
N-ethyl-N,3-dimethylbutanamide
CID 18505916
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
carbonic acid;2-hydroxypentan-3-one
CID 174710122
4-hydroxy-1-(oxiran-2-yl)pentane-1,3-dione
CID 88558330
1-hydroxy-1-methyl-3-(2-methylpropyl)urea
CID 55286879
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702
CID 59233637
CID 59233637
CID 87075716
CID 87075716

Frequently Asked Questions

What is the IUPAC name of N,4-dihydroxy-N-methyl-3-oxopentanamide?
The IUPAC name of N,4-dihydroxy-N-methyl-3-oxopentanamide (CID 20659480) is N,4-dihydroxy-N-methyl-3-oxopentanamide.
What is the SMILES notation for N,4-dihydroxy-N-methyl-3-oxopentanamide?
The canonical SMILES for N,4-dihydroxy-N-methyl-3-oxopentanamide is CC(O)C(=O)CC(=O)N(C)O.
What is the InChIKey of N,4-dihydroxy-N-methyl-3-oxopentanamide?
The InChIKey is RVCGVIJFISVELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(8)5(9)3-6(10)7(2)11/h4,8,11H,3H2,1-2H3.
What are the key properties of N,4-dihydroxy-N-methyl-3-oxopentanamide?
N,4-dihydroxy-N-methyl-3-oxopentanamide has a molecular weight of 161.16 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dihydroxy-N-methyl-3-oxopentanamide is sourced from PubChem (CID 20659480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).