4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid

C10H17NO4 — CID 54595495

IUPAC4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyUUCLHVZQTOAHNB-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid

4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 54595495) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
PubChem CID54595495
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyUUCLHVZQTOAHNB-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 119358140
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
CID 119239024
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 114111577
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
(2S)-4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholine-2-carboxylic acid
CID 125150978
4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid
CID 63614048

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid (CID 54595495) is 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid is CC(C)(C)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is UUCLHVZQTOAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid?
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 54595495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).