1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid

C13H20N2O5 — CID 83103065

IUPAC1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
SMILESCCNC(=O)C1COCCN1C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H20N2O5/c1-2-14-10(16)9-8-20-7-6-15(9)11(17)13(12(18)19)4-3-5-13/h9H,2-8H2,1H3,(H,14,16)(H,18,19)
InChIKeyWHBRTVSPPLMJTR-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.40
Rot. Bonds4

About 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid

1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 83103065) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID83103065
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
SMILESCCNC(=O)C1COCCN1C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C13H20N2O5/c1-2-14-10(16)9-8-20-7-6-15(9)11(17)13(12(18)19)4-3-5-13/h9H,2-8H2,1H3,(H,14,16)(H,18,19)
InChIKeyWHBRTVSPPLMJTR-UHFFFAOYSA-N
XLogP-0.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-(2-propylpyrrolidine-2-carbonyl)morpholine-3-carboxamide
CID 106975697
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107840814
N-ethyl-4-[(2R)-pyrrolidine-2-carbonyl]morpholine-3-carboxamide
CID 104901407
N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
CID 83099413

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid (CID 83103065) is 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid is CCNC(=O)C1COCCN1C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is WHBRTVSPPLMJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-2-14-10(16)9-8-20-7-6-15(9)11(17)13(12(18)19)4-3-5-13/h9H,2-8H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid?
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83103065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).