2-(morpholin-4-ylcarbamoylamino)benzoic acid

C12H15N3O4 — CID 83020338

IUPAC2-(morpholin-4-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)NN1CCOCC1
InChIInChI=1S/C12H15N3O4/c16-11(17)9-3-1-2-4-10(9)13-12(18)14-15-5-7-19-8-6-15/h1-4H,5-8H2,(H,16,17)(H2,13,14,18)
InChIKeyOHIMQCJTUALMGA-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.75
Rot. Bonds3

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

2-(morpholin-4-ylcarbamoylamino)benzoic acid (PubChem CID 83020338) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(morpholin-4-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylcarbamoylamino)benzoic acid
PubChem CID83020338
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-(morpholin-4-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)NN1CCOCC1
InChIInChI=1S/C12H15N3O4/c16-11(17)9-3-1-2-4-10(9)13-12(18)14-15-5-7-19-8-6-15/h1-4H,5-8H2,(H,16,17)(H2,13,14,18)
InChIKeyOHIMQCJTUALMGA-UHFFFAOYSA-N
XLogP0.75
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
1-benzyl-3-morpholin-4-ylurea
CID 107653208
methyl 2-[(4-methylpiperazin-1-yl)carbamoylamino]benzoate
CID 971531
CID 170843062
CID 170843062
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
CID 972139
CID 131887032
CID 131887032
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
CID 83016133
benzyl N-morpholin-4-ylcarbamate
CID 54530052
N-[4-chloro-2-(morpholin-4-ylcarbamoyl)phenyl]naphthalene-1-carboxamide;5-chloro-2-(naphthalene-1-carbonylamino)benzoic acid
CID 159427073
N-(2-benzoylphenyl)-2-morpholin-4-ylpropanamide
CID 17461516
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1288339
2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
CID 61189563

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylcarbamoylamino)benzoic acid?
The IUPAC name of 2-(morpholin-4-ylcarbamoylamino)benzoic acid (CID 83020338) is 2-(morpholin-4-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-(morpholin-4-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-(morpholin-4-ylcarbamoylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)NN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylcarbamoylamino)benzoic acid?
The InChIKey is OHIMQCJTUALMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-11(17)9-3-1-2-4-10(9)13-12(18)14-15-5-7-19-8-6-15/h1-4H,5-8H2,(H,16,17)(H2,13,14,18).
What are the key properties of 2-(morpholin-4-ylcarbamoylamino)benzoic acid?
2-(morpholin-4-ylcarbamoylamino)benzoic acid has a molecular weight of 265.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 83020338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).