4-acetylmorpholine-2-carboxylic acid

C7H11NO4 — CID 20598078

IUPAC4-acetylmorpholine-2-carboxylic acid
SMILESCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-5(9)8-2-3-12-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyZRKDVLAKXLCMKC-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.68
Rot. Bonds1

About 4-acetylmorpholine-2-carboxylic acid

4-acetylmorpholine-2-carboxylic acid (PubChem CID 20598078) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-acetylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetylmorpholine-2-carboxylic acid
PubChem CID20598078
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name4-acetylmorpholine-2-carboxylic acid
SMILESCC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-5(9)8-2-3-12-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyZRKDVLAKXLCMKC-UHFFFAOYSA-N
XLogP-0.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
CID 144675033
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
CID 106112662
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
4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
CID 65282177

Frequently Asked Questions

What is the IUPAC name of 4-acetylmorpholine-2-carboxylic acid?
The IUPAC name of 4-acetylmorpholine-2-carboxylic acid (CID 20598078) is 4-acetylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-acetylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-acetylmorpholine-2-carboxylic acid is CC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-acetylmorpholine-2-carboxylic acid?
The InChIKey is ZRKDVLAKXLCMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(9)8-2-3-12-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-acetylmorpholine-2-carboxylic acid?
4-acetylmorpholine-2-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.68, 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 is sourced from PubChem (CID 20598078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).