2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid

C9H15NO4 — CID 104768155

IUPAC2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
SMILESCOC1CC(NC(=O)C(=O)O)C1(C)C
InChIInChI=1S/C9H15NO4/c1-9(2)5(4-6(9)14-3)10-7(11)8(12)13/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyGIYGRBCMPYTKMY-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.00
Rot. Bonds2

About 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid (PubChem CID 104768155) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
PubChem CID104768155
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
SMILESCOC1CC(NC(=O)C(=O)O)C1(C)C
InChIInChI=1S/C9H15NO4/c1-9(2)5(4-6(9)14-3)10-7(11)8(12)13/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyGIYGRBCMPYTKMY-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.00
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

4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114118830
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 130952253
N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
CID 130677750
2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid
CID 113364324
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
CID 103743813
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
CID 103742031
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)-1-methylurea
CID 103743870
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid (CID 104768155) is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid is COC1CC(NC(=O)C(=O)O)C1(C)C.
What is the InChIKey of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid?
The InChIKey is GIYGRBCMPYTKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2)5(4-6(9)14-3)10-7(11)8(12)13/h5-6H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid?
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 104768155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).