4-(2-aminomorpholin-4-yl)benzoic acid

C11H14N2O3 — CID 174676626

IUPAC4-(2-aminomorpholin-4-yl)benzoic acid
SMILESNC1CN(c2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C11H14N2O3/c12-10-7-13(5-6-16-10)9-3-1-8(2-4-9)11(14)15/h1-4,10H,5-7,12H2,(H,14,15)
InChIKeyKTIUIWZZNCYZMV-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.51
Rot. Bonds2

About 4-(2-aminomorpholin-4-yl)benzoic acid

4-(2-aminomorpholin-4-yl)benzoic acid (PubChem CID 174676626) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(2-aminomorpholin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-aminomorpholin-4-yl)benzoic acid
PubChem CID174676626
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(2-aminomorpholin-4-yl)benzoic acid
SMILESNC1CN(c2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C11H14N2O3/c12-10-7-13(5-6-16-10)9-3-1-8(2-4-9)11(14)15/h1-4,10H,5-7,12H2,(H,14,15)
InChIKeyKTIUIWZZNCYZMV-UHFFFAOYSA-N
XLogP0.51
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
methyl 4-[2-(hydroxymethyl)morpholin-4-yl]benzoate
CID 117008733
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
3-(2-ethylmorpholin-4-yl)benzoic acid
CID 102822701
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminomorpholin-4-yl)benzoic acid?
The IUPAC name of 4-(2-aminomorpholin-4-yl)benzoic acid (CID 174676626) is 4-(2-aminomorpholin-4-yl)benzoic acid.
What is the SMILES notation for 4-(2-aminomorpholin-4-yl)benzoic acid?
The canonical SMILES for 4-(2-aminomorpholin-4-yl)benzoic acid is NC1CN(c2ccc(C(=O)O)cc2)CCO1.
What is the InChIKey of 4-(2-aminomorpholin-4-yl)benzoic acid?
The InChIKey is KTIUIWZZNCYZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10-7-13(5-6-16-10)9-3-1-8(2-4-9)11(14)15/h1-4,10H,5-7,12H2,(H,14,15).
What are the key properties of 4-(2-aminomorpholin-4-yl)benzoic acid?
4-(2-aminomorpholin-4-yl)benzoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminomorpholin-4-yl)benzoic acid is sourced from PubChem (CID 174676626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).