4-amino-2-(morpholin-4-ylamino)benzoic acid

C11H15N3O3 — CID 83023674

IUPAC4-amino-2-(morpholin-4-ylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NN2CCOCC2)c1
InChIInChI=1S/C11H15N3O3/c12-8-1-2-9(11(15)16)10(7-8)13-14-3-5-17-6-4-14/h1-2,7,13H,3-6,12H2,(H,15,16)
InChIKeyIMNUMHPPULDGSK-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.63
Rot. Bonds3

About 4-amino-2-(morpholin-4-ylamino)benzoic acid

4-amino-2-(morpholin-4-ylamino)benzoic acid (PubChem CID 83023674) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-2-(morpholin-4-ylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(morpholin-4-ylamino)benzoic acid
PubChem CID83023674
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-amino-2-(morpholin-4-ylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NN2CCOCC2)c1
InChIInChI=1S/C11H15N3O3/c12-8-1-2-9(11(15)16)10(7-8)13-14-3-5-17-6-4-14/h1-2,7,13H,3-6,12H2,(H,15,16)
InChIKeyIMNUMHPPULDGSK-UHFFFAOYSA-N
XLogP0.63
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-4-(morpholin-4-ylamino)benzoic acid
CID 83025782
3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine
CID 91325508
2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine
CID 83005598
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
3-bromo-4-(morpholin-4-ylamino)benzoic acid
CID 83023916
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid
CID 83024698
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217
2-N-morpholin-4-ylpyridine-2,5-diamine
CID 83005603
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
CID 79156204
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
CID 83012813

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(morpholin-4-ylamino)benzoic acid?
The IUPAC name of 4-amino-2-(morpholin-4-ylamino)benzoic acid (CID 83023674) is 4-amino-2-(morpholin-4-ylamino)benzoic acid.
What is the SMILES notation for 4-amino-2-(morpholin-4-ylamino)benzoic acid?
The canonical SMILES for 4-amino-2-(morpholin-4-ylamino)benzoic acid is Nc1ccc(C(=O)O)c(NN2CCOCC2)c1.
What is the InChIKey of 4-amino-2-(morpholin-4-ylamino)benzoic acid?
The InChIKey is IMNUMHPPULDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-8-1-2-9(11(15)16)10(7-8)13-14-3-5-17-6-4-14/h1-2,7,13H,3-6,12H2,(H,15,16).
What are the key properties of 4-amino-2-(morpholin-4-ylamino)benzoic acid?
4-amino-2-(morpholin-4-ylamino)benzoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(morpholin-4-ylamino)benzoic acid is sourced from PubChem (CID 83023674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).