2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide

C7H12N2O3 — CID 155727062

IUPAC2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide
SMILESCC(C(=O)C=O)N(C)C(=O)CN
InChIInChI=1S/C7H12N2O3/c1-5(6(11)4-10)9(2)7(12)3-8/h4-5H,3,8H2,1-2H3
InChIKeyYUXZAUMTMVUUJA-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.44
Rot. Bonds4

About 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide

2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide (PubChem CID 155727062) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide
PubChem CID155727062
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide
SMILESCC(C(=O)C=O)N(C)C(=O)CN
InChIInChI=1S/C7H12N2O3/c1-5(6(11)4-10)9(2)7(12)3-8/h4-5H,3,8H2,1-2H3
InChIKeyYUXZAUMTMVUUJA-UHFFFAOYSA-N
XLogP-1.44
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 43570257
propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
CID 87582497
2-amino-N,N-diformylacetamide
CID 175241955
2-amino-N-(2-amino-2-oxoethyl)-N-methylacetamide
CID 43374242
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
2-amino-N-(2-hydroxypropyl)-N-(2-methylpropyl)acetamide
CID 170614362
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
CID 123171697

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide (CID 155727062) is 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide is CC(C(=O)C=O)N(C)C(=O)CN.
What is the InChIKey of 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide?
The InChIKey is YUXZAUMTMVUUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(6(11)4-10)9(2)7(12)3-8/h4-5H,3,8H2,1-2H3.
What are the key properties of 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide?
2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide has a molecular weight of 172.18 g/mol, XLogP of -1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dioxobutan-2-yl)-N-methylacetamide is sourced from PubChem (CID 155727062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).