methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate

C15H20N2O4 — CID 95160013

IUPACmethyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
SMILESCC[C@H]1CN(C(=O)Nc2ccc(C(=O)OC)cc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-3-13-10-17(8-9-21-13)15(19)16-12-6-4-11(5-7-12)14(18)20-2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyASZULKVARTUCCQ-ZDUSSCGKSA-N
MW292.34 g/mol
LogP2.12
Rot. Bonds3

About methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate

methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate (PubChem CID 95160013) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
PubChem CID95160013
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
SMILESCC[C@H]1CN(C(=O)Nc2ccc(C(=O)OC)cc2)CCO1
InChIInChI=1S/C15H20N2O4/c1-3-13-10-17(8-9-21-13)15(19)16-12-6-4-11(5-7-12)14(18)20-2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyASZULKVARTUCCQ-ZDUSSCGKSA-N
XLogP2.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate 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

methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate
CID 56785300
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
(2S)-2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 97437793
2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 72872596
methyl 4-(1,3,3a,4,7,7a-hexahydroisoindole-2-carbonylamino)benzoate
CID 71992678
methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
CID 61306954

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate (CID 95160013) is methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate is CC[C@H]1CN(C(=O)Nc2ccc(C(=O)OC)cc2)CCO1.
What is the InChIKey of methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate?
The InChIKey is ASZULKVARTUCCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-13-10-17(8-9-21-13)15(19)16-12-6-4-11(5-7-12)14(18)20-2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate?
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate has a molecular weight of 292.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 95160013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).