2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid

C14H18N2O4 — CID 61202030

IUPAC2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1(C)CN(C(=O)Nc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C14H18N2O4/c1-14(2)9-16(7-8-20-14)13(19)15-11-6-4-3-5-10(11)12(17)18/h3-6H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVDHDTNWUMYOGHW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.03
Rot. Bonds2

About 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid

2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid (PubChem CID 61202030) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
PubChem CID61202030
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1(C)CN(C(=O)Nc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C14H18N2O4/c1-14(2)9-16(7-8-20-14)13(19)15-11-6-4-3-5-10(11)12(17)18/h3-6H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVDHDTNWUMYOGHW-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

3-bromo-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 63113644
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670631
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092
2-(2,2-dimethylmorpholin-4-yl)benzoic acid
CID 43592982
N-[4-(1-hydroxyethyl)phenyl]-2,2-dimethylmorpholine-4-carboxamide
CID 61339795
(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
CID 86983017
(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
CID 86991464
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid (CID 61202030) is 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid is CC1(C)CN(C(=O)Nc2ccccc2C(=O)O)CCO1.
What is the InChIKey of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The InChIKey is VDHDTNWUMYOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)9-16(7-8-20-14)13(19)15-11-6-4-3-5-10(11)12(17)18/h3-6H,7-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
2-[(2,2-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 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61202030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).