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

C13H20N2O4 — CID 83103021

IUPAC2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H20N2O4/c16-12(14-8-1-2-8)11-7-19-6-5-15(11)10-4-3-9(10)13(17)18/h8-11H,1-7H2,(H,14,16)(H,17,18)
InChIKeyBKYNIHICGLUURR-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.17
Rot. Bonds4

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

2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid (PubChem CID 83103021) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
PubChem CID83103021
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H20N2O4/c16-12(14-8-1-2-8)11-7-19-6-5-15(11)10-4-3-9(10)13(17)18/h8-11H,1-7H2,(H,14,16)(H,17,18)
InChIKeyBKYNIHICGLUURR-UHFFFAOYSA-N
XLogP-0.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
CID 83103874
4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096714
N-cyclopropyl-4-[4-(methylamino)cyclohexyl]morpholine-3-carboxamide
CID 114763535
4-(2-methylcyclobutyl)morpholine-3-carboxylic acid
CID 130555378
4-(2-bicyclo[3.1.0]hexanyl)morpholine-3-carboxylic acid
CID 83835004
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid
CID 83103583
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 83104570

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid (CID 83103021) is 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1N1CCOCC1C(=O)NC1CC1.
What is the InChIKey of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
The InChIKey is BKYNIHICGLUURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-12(14-8-1-2-8)11-7-19-6-5-15(11)10-4-3-9(10)13(17)18/h8-11H,1-7H2,(H,14,16)(H,17,18).
What are the key properties of 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid?
2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83103021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).