4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid

C11H17NO5 — CID 119239172

IUPAC4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
SMILESCCOC1CC1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-2-16-8-5-7(8)10(13)12-3-4-17-9(6-12)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyOQGANDPFCQNCAK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.28
Rot. Bonds4

About 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid

4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid (PubChem CID 119239172) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
PubChem CID119239172
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
SMILESCCOC1CC1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-2-16-8-5-7(8)10(13)12-3-4-17-9(6-12)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyOQGANDPFCQNCAK-UHFFFAOYSA-N
XLogP-0.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114
4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid
CID 66260257
(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580771
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125120523
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 119240168
(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
CID 119376824
4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 170367679
(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125153479
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid (CID 119239172) is 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid is CCOC1CC1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid?
The InChIKey is OQGANDPFCQNCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-16-8-5-7(8)10(13)12-3-4-17-9(6-12)11(14)15/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid?
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).