4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid

C8H14N2O5 — CID 112672362

IUPAC4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NOCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-8(2,7(13)14)3-6(12)10-15-4-5(9)11/h3-4H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyYTBMKQGENQJCLG-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.98
Rot. Bonds6

About 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 112672362) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID112672362
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NOCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-8(2,7(13)14)3-6(12)10-15-4-5(9)11/h3-4H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyYTBMKQGENQJCLG-UHFFFAOYSA-N
XLogP-0.98
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
CID 112550922
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
2-[(2-chloroacetyl)amino]oxyacetamide
CID 112673327
2-[(2-bromoacetyl)amino]oxyacetamide
CID 112673326
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
2-[(2-methylsulfanylacetyl)amino]oxyacetamide
CID 112550699
4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302151
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
N-(2-amino-2-oxoethoxy)-2-methyl-2-(methylamino)propanamide
CID 112674056
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
CID 112551095
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 112672362) is 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NOCC(N)=O)C(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is YTBMKQGENQJCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-8(2,7(13)14)3-6(12)10-15-4-5(9)11/h3-4H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14).
What are the key properties of 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 218.21 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethoxy)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 112672362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).