methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate

C15H22N2O3 — CID 104774500

IUPACmethyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(CN)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-19-15(18)14-11-20-8-7-17(14)10-13(9-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeyXXFVAKNZPSQWSO-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.60
Rot. Bonds5

About methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate

methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate (PubChem CID 104774500) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
PubChem CID104774500
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(CN)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-19-15(18)14-11-20-8-7-17(14)10-13(9-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeyXXFVAKNZPSQWSO-UHFFFAOYSA-N
XLogP0.60
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl (3S)-4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]morpholine-3-carboxylate
CID 155765915
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
CID 83101373
methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate
CID 104775045
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate
CID 104774976
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate (CID 104774500) is methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate is COC(=O)C1COCCN1CC(CN)c1ccccc1.
What is the InChIKey of methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate?
The InChIKey is XXFVAKNZPSQWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-15(18)14-11-20-8-7-17(14)10-13(9-16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3.
What are the key properties of methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate?
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).