2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid

C14H18N2O4 — CID 61203216

IUPAC2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCCC1CN(C(=O)Nc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C14H18N2O4/c1-2-10-9-16(7-8-20-10)14(19)15-12-6-4-3-5-11(12)13(17)18/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyTVGHGZOUPKWKTP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.03
Rot. Bonds3

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

2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid (PubChem CID 61203216) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
PubChem CID61203216
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCCC1CN(C(=O)Nc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C14H18N2O4/c1-2-10-9-16(7-8-20-10)14(19)15-12-6-4-3-5-11(12)13(17)18/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyTVGHGZOUPKWKTP-UHFFFAOYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670631
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
2-ethylmorpholine-4-carboxylic acid
CID 121455686
2-ethyl-N-phenylmorpholine-4-carbothioamide
CID 116507471

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid (CID 61203216) is 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid is CCC1CN(C(=O)Nc2ccccc2C(=O)O)CCO1.
What is the InChIKey of 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid?
The InChIKey is TVGHGZOUPKWKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-10-9-16(7-8-20-10)14(19)15-12-6-4-3-5-11(12)13(17)18/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid?
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61203216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).