2-(morpholin-4-ylcarbamoyl)benzoic acid

C12H14N2O4 — CID 83004357

IUPAC2-(morpholin-4-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NN1CCOCC1
InChIInChI=1S/C12H14N2O4/c15-11(13-14-5-7-18-8-6-14)9-3-1-2-4-10(9)12(16)17/h1-4H,5-8H2,(H,13,15)(H,16,17)
InChIKeyRAMCPSXYSXPDDD-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.36
Rot. Bonds3

About 2-(morpholin-4-ylcarbamoyl)benzoic acid

2-(morpholin-4-ylcarbamoyl)benzoic acid (PubChem CID 83004357) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(morpholin-4-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylcarbamoyl)benzoic acid
PubChem CID83004357
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(morpholin-4-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NN1CCOCC1
InChIInChI=1S/C12H14N2O4/c15-11(13-14-5-7-18-8-6-14)9-3-1-2-4-10(9)12(16)17/h1-4H,5-8H2,(H,13,15)(H,16,17)
InChIKeyRAMCPSXYSXPDDD-UHFFFAOYSA-N
XLogP0.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(morpholin-4-ylcarbamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
CID 83016133
2-hydroxy-3-methyl-N-morpholin-4-ylbenzamide
CID 78910153
2-amino-5-hydroxy-N-morpholin-4-ylbenzamide
CID 107075854
N-[4-chloro-2-(morpholin-4-ylcarbamoyl)phenyl]naphthalene-1-carboxamide;5-chloro-2-(naphthalene-1-carbonylamino)benzoic acid
CID 159427073
4-chloro-N-morpholin-4-ylpyridine-3-carboxamide
CID 82841865
1-benzamido-3-morpholin-4-ylthiourea
CID 95931415
3-hydroxy-N-morpholin-4-ylpyridine-4-carboxamide
CID 80706511
CID 66717184
CID 66717184
N-morpholin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2374192
5-bromo-N-morpholin-4-ylthiophene-2-carboxamide
CID 1246814
1-benzyl-3-morpholin-4-ylurea
CID 107653208

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(morpholin-4-ylcarbamoyl)benzoic acid (CID 83004357) is 2-(morpholin-4-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(morpholin-4-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(morpholin-4-ylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylcarbamoyl)benzoic acid?
The InChIKey is RAMCPSXYSXPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11(13-14-5-7-18-8-6-14)9-3-1-2-4-10(9)12(16)17/h1-4H,5-8H2,(H,13,15)(H,16,17).
What are the key properties of 2-(morpholin-4-ylcarbamoyl)benzoic acid?
2-(morpholin-4-ylcarbamoyl)benzoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 83004357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).