4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid

C12H20N2O5 — CID 66260257

IUPAC4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid
SMILESCCNC1COCC1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-2-13-9-7-18-6-8(9)11(15)14-3-4-19-10(5-14)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyMWEDOGFNIOWCCQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.08
Rot. Bonds4

About 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid

4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 66260257) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID66260257
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid
SMILESCCNC1COCC1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-2-13-9-7-18-6-8(9)11(15)14-3-4-19-10(5-14)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyMWEDOGFNIOWCCQ-UHFFFAOYSA-N
XLogP-1.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylamino)oxolan-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 66260205
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
[4-(ethylamino)oxolan-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 66260265
[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 81203463
[4-(ethylamino)oxolan-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66260210
[4-(ethylamino)oxolan-3-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495367
3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259879
[4-(ethylamino)oxolan-3-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835851
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172
[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
CID 66258113
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499
1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259246

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid (CID 66260257) is 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid is CCNC1COCC1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is MWEDOGFNIOWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-2-13-9-7-18-6-8(9)11(15)14-3-4-19-10(5-14)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid?
4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 66260257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).