3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide

C9H19N3O2 — CID 106276342

IUPAC3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide
SMILESCCC(NCC(C)(C)C(N)=O)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-6(7(10)13)12-5-9(2,3)8(11)14/h6,12H,4-5H2,1-3H3,(H2,10,13)(H2,11,14)
InChIKeyKPUPTKCZXDMAIK-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.65
Rot. Bonds6

About 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide

3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106276342) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide
PubChem CID106276342
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide
SMILESCCC(NCC(C)(C)C(N)=O)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-6(7(10)13)12-5-9(2,3)8(11)14/h6,12H,4-5H2,1-3H3,(H2,10,13)(H2,11,14)
InChIKeyKPUPTKCZXDMAIK-UHFFFAOYSA-N
XLogP-0.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]butanamide
CID 106254647
2-(2-aminoethylamino)butanamide
CID 62900229
3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
CID 106277761
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
2-(butylamino)butanamide
CID 62901736
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
CID 106276355
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
CID 104767621
2-(2-cyclobutylethylamino)butanamide
CID 115688602
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetic acid
CID 106278391
2-(pentan-3-ylamino)butanamide
CID 62899455
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide (CID 106276342) is 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide is CCC(NCC(C)(C)C(N)=O)C(N)=O.
What is the InChIKey of 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is KPUPTKCZXDMAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-6(7(10)13)12-5-9(2,3)8(11)14/h6,12H,4-5H2,1-3H3,(H2,10,13)(H2,11,14).
What are the key properties of 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide?
3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 201.27 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).