2-[(1-amino-1-oxobutan-2-yl)amino]butanamide

C8H17N3O2 — CID 174420695

IUPAC2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
SMILESCCC(NC(CC)C(N)=O)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-3-5(7(9)12)11-6(4-2)8(10)13/h5-6,11H,3-4H2,1-2H3,(H2,9,12)(H2,10,13)
InChIKeyWUHJXNJVWQPNJC-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.90
Rot. Bonds6

About 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide

2-[(1-amino-1-oxobutan-2-yl)amino]butanamide (PubChem CID 174420695) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide.

Molecular Properties

Compound Name2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
PubChem CID174420695
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
SMILESCCC(NC(CC)C(N)=O)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-3-5(7(9)12)11-6(4-2)8(10)13/h5-6,11H,3-4H2,1-2H3,(H2,9,12)(H2,10,13)
InChIKeyWUHJXNJVWQPNJC-UHFFFAOYSA-N
XLogP-0.90
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pentan-3-ylamino)butanamide
CID 62899455
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
4-[(1-amino-1-oxobutan-2-yl)amino]pentanoic acid
CID 87751829
2-formamidobutanamide
CID 55291106
2-(2-aminoethylamino)butanamide
CID 62900229
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
2-(1-phenylethylamino)butanamide
CID 62899453
2-(2-hydroperoxyhydrazinyl)butanamide
CID 134533270
2-(butylamino)butanamide
CID 62901736
2-[1-(oxan-4-yl)ethylamino]butanamide
CID 103768077
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide?
The IUPAC name of 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide (CID 174420695) is 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide.
What is the SMILES notation for 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide?
The canonical SMILES for 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide is CCC(NC(CC)C(N)=O)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide?
The InChIKey is WUHJXNJVWQPNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-3-5(7(9)12)11-6(4-2)8(10)13/h5-6,11H,3-4H2,1-2H3,(H2,9,12)(H2,10,13).
What are the key properties of 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide?
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide has a molecular weight of 187.24 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxobutan-2-yl)amino]butanamide is sourced from PubChem (CID 174420695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).