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

C14H18N2O4 — CID 61427841

IUPAC4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1(C)COCCN1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-14(2)9-20-8-7-16(14)13(19)15-11-5-3-10(4-6-11)12(17)18/h3-6H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGJGYBCXTKCRSFM-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.03
Rot. Bonds2

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

4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid (PubChem CID 61427841) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
PubChem CID61427841
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1(C)COCCN1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-14(2)9-20-8-7-16(14)13(19)15-11-5-3-10(4-6-11)12(17)18/h3-6H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGJGYBCXTKCRSFM-UHFFFAOYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 61428586
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
CID 61428602
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
3-[[(3,3-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61428498
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid (CID 61427841) is 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid is CC1(C)COCCN1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The InChIKey is GJGYBCXTKCRSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)9-20-8-7-16(14)13(19)15-11-5-3-10(4-6-11)12(17)18/h3-6H,7-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61427841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).