2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid

C9H17NO4 — CID 104768994

IUPAC2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
SMILESCOCCC(C)(C)CNC(=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,4-5-14-3)6-10-7(11)8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyJSIWKLVXBFKVEC-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.25
Rot. Bonds5

About 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid

2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid (PubChem CID 104768994) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
PubChem CID104768994
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
SMILESCOCCC(C)(C)CNC(=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-9(2,4-5-14-3)6-10-7(11)8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyJSIWKLVXBFKVEC-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
CID 114124548
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
CID 104625801
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
1-[2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 104623085
methyl 5-methoxy-3,3-dimethylpentanoate
CID 153309889
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
N-(4-methoxy-2,2-dimethylbutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114126470
2-[(4-methoxy-2,2-dimethylbutyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 114126162
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid (CID 104768994) is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid is COCCC(C)(C)CNC(=O)C(=O)O.
What is the InChIKey of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid?
The InChIKey is JSIWKLVXBFKVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,4-5-14-3)6-10-7(11)8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid?
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid has a molecular weight of 203.24 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 104768994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).