3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid

C15H20N2O4 — CID 61428498

IUPAC3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
SMILESCC1(C)COCCN1C(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2)10-21-7-6-17(15)14(20)16-9-11-4-3-5-12(8-11)13(18)19/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUXGGNVUTHRSDBE-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.71
Rot. Bonds3

About 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid

3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid (PubChem CID 61428498) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
PubChem CID61428498
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
SMILESCC1(C)COCCN1C(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2)10-21-7-6-17(15)14(20)16-9-11-4-3-5-12(8-11)13(18)19/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUXGGNVUTHRSDBE-UHFFFAOYSA-N
XLogP1.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]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

3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 62930165
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66177207
3-[(ethylcarbamoylamino)methyl]benzoic acid
CID 60895497
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
3-[(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)methyl]benzoic acid
CID 66371097
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid (CID 61428498) is 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid is CC1(C)COCCN1C(=O)NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
The InChIKey is UXGGNVUTHRSDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)10-21-7-6-17(15)14(20)16-9-11-4-3-5-12(8-11)13(18)19/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid?
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 61428498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).