3-oxo-4-(2-oxobutylamino)butanamide

C8H14N2O3 — CID 135274363

IUPAC3-oxo-4-(2-oxobutylamino)butanamide
SMILESCCC(=O)CNCC(=O)CC(N)=O
InChIInChI=1S/C8H14N2O3/c1-2-6(11)4-10-5-7(12)3-8(9)13/h10H,2-5H2,1H3,(H2,9,13)
InChIKeyRPUHQDWAEZCSIO-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.00
Rot. Bonds7

About 3-oxo-4-(2-oxobutylamino)butanamide

3-oxo-4-(2-oxobutylamino)butanamide (PubChem CID 135274363) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-oxo-4-(2-oxobutylamino)butanamide.

Molecular Properties

Compound Name3-oxo-4-(2-oxobutylamino)butanamide
PubChem CID135274363
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-oxo-4-(2-oxobutylamino)butanamide
SMILESCCC(=O)CNCC(=O)CC(N)=O
InChIInChI=1S/C8H14N2O3/c1-2-6(11)4-10-5-7(12)3-8(9)13/h10H,2-5H2,1H3,(H2,9,13)
InChIKeyRPUHQDWAEZCSIO-UHFFFAOYSA-N
XLogP-1.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethylethanamine;propanamide
CID 172821181
2-(2-methylidenebutylamino)acetamide
CID 66047349
1-(iodoamino)butan-2-one
CID 147536342
1-[(3-amino-2-oxopropoxy)methylamino]butan-2-one
CID 146489805
methane;propanamide
CID 160666730
propanediamide
CID 7911
2-oxo-N-(2-oxobutyl)acetamide
CID 22335308
5-oxoheptanamide
CID 54102648
2-oxobutylcarbamic acid
CID 87278919
guanidine;propanamide
CID 158320139
propanamide;hydrate;hydrochloride
CID 19791604
1-(ethylamino)-4-methylidenehexan-2-one
CID 116562696

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(2-oxobutylamino)butanamide?
The IUPAC name of 3-oxo-4-(2-oxobutylamino)butanamide (CID 135274363) is 3-oxo-4-(2-oxobutylamino)butanamide.
What is the SMILES notation for 3-oxo-4-(2-oxobutylamino)butanamide?
The canonical SMILES for 3-oxo-4-(2-oxobutylamino)butanamide is CCC(=O)CNCC(=O)CC(N)=O.
What is the InChIKey of 3-oxo-4-(2-oxobutylamino)butanamide?
The InChIKey is RPUHQDWAEZCSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-6(11)4-10-5-7(12)3-8(9)13/h10H,2-5H2,1H3,(H2,9,13).
What are the key properties of 3-oxo-4-(2-oxobutylamino)butanamide?
3-oxo-4-(2-oxobutylamino)butanamide has a molecular weight of 186.21 g/mol, XLogP of -1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(2-oxobutylamino)butanamide is sourced from PubChem (CID 135274363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).