3-[(morpholin-4-ylamino)methyl]benzoic acid

C12H16N2O3 — CID 103261048

IUPAC3-[(morpholin-4-ylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNN2CCOCC2)c1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-3-1-2-10(8-11)9-13-14-4-6-17-7-5-14/h1-3,8,13H,4-7,9H2,(H,15,16)
InChIKeyFEXQEYIGSRFXLN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.72
Rot. Bonds4

About 3-[(morpholin-4-ylamino)methyl]benzoic acid

3-[(morpholin-4-ylamino)methyl]benzoic acid (PubChem CID 103261048) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(morpholin-4-ylamino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(morpholin-4-ylamino)methyl]benzoic acid
PubChem CID103261048
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[(morpholin-4-ylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNN2CCOCC2)c1
InChIInChI=1S/C12H16N2O3/c15-12(16)11-3-1-2-10(8-11)9-13-14-4-6-17-7-5-14/h1-3,8,13H,4-7,9H2,(H,15,16)
InChIKeyFEXQEYIGSRFXLN-UHFFFAOYSA-N
XLogP0.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
CID 82996693
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003
3-[[2-(oxan-4-yl)ethylamino]methyl]benzoic acid
CID 115221817
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61428498
3-[(2-morpholin-4-ylethylsulfonyloxymethylamino)methyl]benzoic acid
CID 174860826
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine
CID 83011765
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032

Frequently Asked Questions

What is the IUPAC name of 3-[(morpholin-4-ylamino)methyl]benzoic acid?
The IUPAC name of 3-[(morpholin-4-ylamino)methyl]benzoic acid (CID 103261048) is 3-[(morpholin-4-ylamino)methyl]benzoic acid.
What is the SMILES notation for 3-[(morpholin-4-ylamino)methyl]benzoic acid?
The canonical SMILES for 3-[(morpholin-4-ylamino)methyl]benzoic acid is O=C(O)c1cccc(CNN2CCOCC2)c1.
What is the InChIKey of 3-[(morpholin-4-ylamino)methyl]benzoic acid?
The InChIKey is FEXQEYIGSRFXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(16)11-3-1-2-10(8-11)9-13-14-4-6-17-7-5-14/h1-3,8,13H,4-7,9H2,(H,15,16).
What are the key properties of 3-[(morpholin-4-ylamino)methyl]benzoic acid?
3-[(morpholin-4-ylamino)methyl]benzoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(morpholin-4-ylamino)methyl]benzoic acid is sourced from PubChem (CID 103261048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).