4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid

C17H21NO4 — CID 71914349

IUPAC4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1
InChIInChI=1S/C17H21NO4/c19-15(20)14-12-18(9-10-22-14)16(21)17(7-4-8-17)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,20)
InChIKeyRUSPHNPNFOUCIE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.71
Rot. Bonds4

About 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid

4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid (PubChem CID 71914349) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
PubChem CID71914349
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1
InChIInChI=1S/C17H21NO4/c19-15(20)14-12-18(9-10-22-14)16(21)17(7-4-8-17)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,20)
InChIKeyRUSPHNPNFOUCIE-UHFFFAOYSA-N
XLogP1.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylcyclobutyl)-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998146
4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119239094
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
(2S)-4-[1-(2-methoxyethyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 125149728
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid (CID 71914349) is 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1.
What is the InChIKey of 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid?
The InChIKey is RUSPHNPNFOUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15(20)14-12-18(9-10-22-14)16(21)17(7-4-8-17)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,19,20).
What are the key properties of 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid?
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 71914349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).