4-(1,5-dioxopentan-2-ylamino)butanamide

C9H16N2O3 — CID 169158983

IUPAC4-(1,5-dioxopentan-2-ylamino)butanamide
SMILESNC(=O)CCCNC(C=O)CCC=O
InChIInChI=1S/C9H16N2O3/c10-9(14)4-1-5-11-8(7-13)3-2-6-12/h6-8,11H,1-5H2,(H2,10,14)
InChIKeyKXCWIORIZJDYNK-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.61
Rot. Bonds9

About 4-(1,5-dioxopentan-2-ylamino)butanamide

4-(1,5-dioxopentan-2-ylamino)butanamide (PubChem CID 169158983) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1,5-dioxopentan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(1,5-dioxopentan-2-ylamino)butanamide
PubChem CID169158983
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-(1,5-dioxopentan-2-ylamino)butanamide
SMILESNC(=O)CCCNC(C=O)CCC=O
InChIInChI=1S/C9H16N2O3/c10-9(14)4-1-5-11-8(7-13)3-2-6-12/h6-8,11H,1-5H2,(H2,10,14)
InChIKeyKXCWIORIZJDYNK-UHFFFAOYSA-N
XLogP-0.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

14-[(4-carboxy-1-oxobutan-2-yl)amino]tetradecanoic acid
CID 145026904
12-oxododecanamide
CID 54019408
17-oxoheptadecanamide
CID 54112129
[(2S)-5-amino-1,5-dioxopentan-2-yl]carbamic acid
CID 162498855
5-formyl-6-oxohexanamide
CID 140570423
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
N-methylethanamine;5-oxopentanamide
CID 143785346
4-(2,6-dimethylheptan-4-ylamino)butanamide
CID 60863746
18-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-18-oxooctadecanoic acid
CID 88901172
6-(diaminomethylamino)hexanamide
CID 135228414
2-(2-hydroxyethylamino)hexanal
CID 174299334
24-amino-23-[(22-amino-22-oxodocos-9-enyl)amino]tetracos-13-enamide
CID 54149236

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dioxopentan-2-ylamino)butanamide?
The IUPAC name of 4-(1,5-dioxopentan-2-ylamino)butanamide (CID 169158983) is 4-(1,5-dioxopentan-2-ylamino)butanamide.
What is the SMILES notation for 4-(1,5-dioxopentan-2-ylamino)butanamide?
The canonical SMILES for 4-(1,5-dioxopentan-2-ylamino)butanamide is NC(=O)CCCNC(C=O)CCC=O.
What is the InChIKey of 4-(1,5-dioxopentan-2-ylamino)butanamide?
The InChIKey is KXCWIORIZJDYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-9(14)4-1-5-11-8(7-13)3-2-6-12/h6-8,11H,1-5H2,(H2,10,14).
What are the key properties of 4-(1,5-dioxopentan-2-ylamino)butanamide?
4-(1,5-dioxopentan-2-ylamino)butanamide has a molecular weight of 200.24 g/mol, XLogP of -0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dioxopentan-2-ylamino)butanamide is sourced from PubChem (CID 169158983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).