2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid

C10H17NO4 — CID 82821366

IUPAC2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
SMILESCC(C)(C(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C10H17NO4/c1-10(2,9(13)14)8(12)11-7-3-5-15-6-4-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyCGSILLUOJONZII-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds3

About 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid

2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid (PubChem CID 82821366) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
PubChem CID82821366
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
SMILESCC(C)(C(=O)O)C(=O)NC1CCOCC1
InChIInChI=1S/C10H17NO4/c1-10(2,9(13)14)8(12)11-7-3-5-15-6-4-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyCGSILLUOJONZII-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
3-[[(1R)-cyclohex-3-en-1-yl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 154872471
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339
3-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 64684396
2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
CID 115187200
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 79010158
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid?
The IUPAC name of 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid (CID 82821366) is 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid is CC(C)(C(=O)O)C(=O)NC1CCOCC1.
What is the InChIKey of 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid?
The InChIKey is CGSILLUOJONZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,9(13)14)8(12)11-7-3-5-15-6-4-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid?
2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid is sourced from PubChem (CID 82821366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).