4-acetylmorpholine-2-carboxylic acid;ethane

C9H17NO4 — CID 144675076

IUPAC4-acetylmorpholine-2-carboxylic acid;ethane
SMILESCC.CC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C7H11NO4.C2H6/c1-5(9)8-2-3-12-6(4-8)7(10)11;1-2/h6H,2-4H2,1H3,(H,10,11);1-2H3
InChIKeyJXOWRWDVAKJITI-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.34
Rot. Bonds1

About 4-acetylmorpholine-2-carboxylic acid;ethane

4-acetylmorpholine-2-carboxylic acid;ethane (PubChem CID 144675076) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-acetylmorpholine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name4-acetylmorpholine-2-carboxylic acid;ethane
PubChem CID144675076
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-acetylmorpholine-2-carboxylic acid;ethane
SMILESCC.CC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C7H11NO4.C2H6/c1-5(9)8-2-3-12-6(4-8)7(10)11;1-2/h6H,2-4H2,1H3,(H,10,11);1-2H3
InChIKeyJXOWRWDVAKJITI-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetylmorpholine-2-carboxylic acid
CID 20598078
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253
4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
CID 144675033
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
CID 106112662
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 114111577
4-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]morpholine-2-carboxylic acid
CID 102907152

Frequently Asked Questions

What is the IUPAC name of 4-acetylmorpholine-2-carboxylic acid;ethane?
The IUPAC name of 4-acetylmorpholine-2-carboxylic acid;ethane (CID 144675076) is 4-acetylmorpholine-2-carboxylic acid;ethane.
What is the SMILES notation for 4-acetylmorpholine-2-carboxylic acid;ethane?
The canonical SMILES for 4-acetylmorpholine-2-carboxylic acid;ethane is CC.CC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-acetylmorpholine-2-carboxylic acid;ethane?
The InChIKey is JXOWRWDVAKJITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4.C2H6/c1-5(9)8-2-3-12-6(4-8)7(10)11;1-2/h6H,2-4H2,1H3,(H,10,11);1-2H3.
What are the key properties of 4-acetylmorpholine-2-carboxylic acid;ethane?
4-acetylmorpholine-2-carboxylic acid;ethane has a molecular weight of 203.24 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-acetylmorpholine-2-carboxylic acid;ethane is sourced from PubChem (CID 144675076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).