2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid

C13H22N2O4 — CID 83103874

IUPAC2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1C1CCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)14-12(16)11-7-19-6-5-15(11)10-4-3-9(10)13(17)18/h8-11H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLNRYYQXONDSGPJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.08
Rot. Bonds4

About 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid

2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid (PubChem CID 83103874) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
PubChem CID83103874
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1C1CCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)14-12(16)11-7-19-6-5-15(11)10-4-3-9(10)13(17)18/h8-11H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLNRYYQXONDSGPJ-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
CID 83103021
4-(4-hydroxypyrrolidin-3-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83100709
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
4-(2-methylcyclobutyl)morpholine-3-carboxylic acid
CID 130555378
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
N-propan-2-yl-4-sulfamoylmorpholine-3-carboxamide
CID 112573894
potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104637
4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104751052
4-(2-bicyclo[3.1.0]hexanyl)morpholine-3-carboxylic acid
CID 83835004
4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097662

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid (CID 83103874) is 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid is CC(C)NC(=O)C1COCCN1C1CCC1C(=O)O.
What is the InChIKey of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
The InChIKey is LNRYYQXONDSGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)14-12(16)11-7-19-6-5-15(11)10-4-3-9(10)13(17)18/h8-11H,3-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83103874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).