4-amino-4-methyl-5-oxopentanamide

C6H12N2O2 — CID 20716475

IUPAC4-amino-4-methyl-5-oxopentanamide
SMILESCC(N)(C=O)CCC(N)=O
InChIInChI=1S/C6H12N2O2/c1-6(8,4-9)3-2-5(7)10/h4H,2-3,8H2,1H3,(H2,7,10)
InChIKeyUJRHRNNIAKCPAY-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.83
Rot. Bonds4

About 4-amino-4-methyl-5-oxopentanamide

4-amino-4-methyl-5-oxopentanamide (PubChem CID 20716475) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-amino-4-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-5-oxopentanamide
PubChem CID20716475
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name4-amino-4-methyl-5-oxopentanamide
SMILESCC(N)(C=O)CCC(N)=O
InChIInChI=1S/C6H12N2O2/c1-6(8,4-9)3-2-5(7)10/h4H,2-3,8H2,1H3,(H2,7,10)
InChIKeyUJRHRNNIAKCPAY-UHFFFAOYSA-N
XLogP-0.83
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethylpentanamide;hydrochloride
CID 141202343
(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid
CID 57321719
4-amino-4,4-dihydroxybutanamide
CID 174849803
(2R)-2-amino-2-methylhexanal
CID 144823365
4-methyl-4-propylheptanamide
CID 90273698
2,2,3,3-tetramethylhexanediamide
CID 19832795
butanediamide;molybdenum
CID 161333962
2-amino-2-methylundecanal
CID 175716419
2-amino-2-(3-amino-3-oxopropyl)-3-oxoicosanoic acid
CID 19421297
2-amino-2-ethenylpentanediamide
CID 88795242
5-methyl-5-sulfanylhexanamide
CID 174979963
hexanediamide;methoxymethane
CID 87287786

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-5-oxopentanamide?
The IUPAC name of 4-amino-4-methyl-5-oxopentanamide (CID 20716475) is 4-amino-4-methyl-5-oxopentanamide.
What is the SMILES notation for 4-amino-4-methyl-5-oxopentanamide?
The canonical SMILES for 4-amino-4-methyl-5-oxopentanamide is CC(N)(C=O)CCC(N)=O.
What is the InChIKey of 4-amino-4-methyl-5-oxopentanamide?
The InChIKey is UJRHRNNIAKCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-6(8,4-9)3-2-5(7)10/h4H,2-3,8H2,1H3,(H2,7,10).
What are the key properties of 4-amino-4-methyl-5-oxopentanamide?
4-amino-4-methyl-5-oxopentanamide has a molecular weight of 144.17 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-5-oxopentanamide is sourced from PubChem (CID 20716475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).