methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate

C14H18N2O4 — CID 104774429

IUPACmethyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)Cc1ccccc1N
InChIInChI=1S/C14H18N2O4/c1-19-14(18)12-9-20-7-6-16(12)13(17)8-10-4-2-3-5-11(10)15/h2-5,12H,6-9,15H2,1H3
InChIKeyHOQOCTQMADSMJS-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.21
Rot. Bonds3

About methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate

methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate (PubChem CID 104774429) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
PubChem CID104774429
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)Cc1ccccc1N
InChIInChI=1S/C14H18N2O4/c1-19-14(18)12-9-20-7-6-16(12)13(17)8-10-4-2-3-5-11(10)15/h2-5,12H,6-9,15H2,1H3
InChIKeyHOQOCTQMADSMJS-UHFFFAOYSA-N
XLogP0.21
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide
CID 83094374
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
methyl 4-(2,4-diaminobenzoyl)morpholine-3-carboxylate
CID 104774409
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421
methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
CID 104774871
methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
CID 115669932
methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
CID 115670262
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-(3-amino-4-bromobenzoyl)morpholine-3-carboxylate
CID 104774410

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate (CID 104774429) is methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)Cc1ccccc1N.
What is the InChIKey of methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate?
The InChIKey is HOQOCTQMADSMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-14(18)12-9-20-7-6-16(12)13(17)8-10-4-2-3-5-11(10)15/h2-5,12H,6-9,15H2,1H3.
What are the key properties of methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate?
methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate is sourced from PubChem (CID 104774429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).