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

C9H15NO5 — CID 65302151

IUPAC4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC(=O)CNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C9H15NO5/c1-9(2,8(13)14)4-6(11)10-5-7(12)15-3/h4-5H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyLLCBOFUEZWNYIW-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.22
Rot. Bonds5

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

4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302151) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302151
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOC(=O)CNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C9H15NO5/c1-9(2,8(13)14)4-6(11)10-5-7(12)15-3/h4-5H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyLLCBOFUEZWNYIW-UHFFFAOYSA-N
XLogP-0.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-4-[(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 54867747
2-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]acetic acid
CID 123134771
4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 113405891
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
2,2-dimethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759067
4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 106840413
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
methyl 3-[3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sulfanylpropanoate
CID 130272723

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302151) is 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is COC(=O)CNC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is LLCBOFUEZWNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(2,8(13)14)4-6(11)10-5-7(12)15-3/h4-5H2,1-3H3,(H,10,11)(H,13,14).
What are the key properties of 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 217.22 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).