2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide

C9H19N3O2 — CID 76893601

IUPAC2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-5(7(11)13)12-8(14)6(10)9(2,3)4/h5-6H,10H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyCVWSNIJVJBQGLG-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.65
Rot. Bonds3

About 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide

2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide (PubChem CID 76893601) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
PubChem CID76893601
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-5(7(11)13)12-8(14)6(10)9(2,3)4/h5-6H,10H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyCVWSNIJVJBQGLG-UHFFFAOYSA-N
XLogP-0.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
2-amino-3,3-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 113288460
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
methyl (2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutanoate
CID 113353339
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide (CID 76893601) is 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide is CC(NC(=O)C(N)C(C)(C)C)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is CVWSNIJVJBQGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-5(7(11)13)12-8(14)6(10)9(2,3)4/h5-6H,10H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide?
2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 201.27 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxopropan-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76893601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).