4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid

C16H18N2O5 — CID 120521870

IUPAC4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C16H18N2O5/c19-14(17-12-5-6-12)10-1-3-11(4-2-10)15(20)18-7-8-23-9-13(18)16(21)22/h1-4,12-13H,5-9H2,(H,17,19)(H,21,22)
InChIKeyZMTKLHHTNOILJM-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.50
Rot. Bonds4

About 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid

4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 120521870) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID120521870
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C16H18N2O5/c19-14(17-12-5-6-12)10-1-3-11(4-2-10)15(20)18-7-8-23-9-13(18)16(21)22/h1-4,12-13H,5-9H2,(H,17,19)(H,21,22)
InChIKeyZMTKLHHTNOILJM-UHFFFAOYSA-N
XLogP0.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
CID 83102563
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
CID 119216217
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
4-(4-propan-2-ylsulfinylbenzoyl)morpholine-3-carboxylic acid
CID 119216119
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216050

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid (CID 120521870) is 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid is O=C(NC1CC1)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is ZMTKLHHTNOILJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-14(17-12-5-6-12)10-1-3-11(4-2-10)15(20)18-7-8-23-9-13(18)16(21)22/h1-4,12-13H,5-9H2,(H,17,19)(H,21,22).
What are the key properties of 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 120521870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).