(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate

C15H22N2O3 — CID 106592454

IUPAC(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCC1CN(C)CCO1)c1cccc(N)c1
InChIInChI=1S/C15H22N2O3/c1-11(12-4-3-5-13(16)8-12)15(18)20-10-14-9-17(2)6-7-19-14/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3
InChIKeyUIGGHXDKVZPSHT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.25
Rot. Bonds4

About (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate

(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate (PubChem CID 106592454) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
PubChem CID106592454
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCC1CN(C)CCO1)c1cccc(N)c1
InChIInChI=1S/C15H22N2O3/c1-11(12-4-3-5-13(16)8-12)15(18)20-10-14-9-17(2)6-7-19-14/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3
InChIKeyUIGGHXDKVZPSHT-UHFFFAOYSA-N
XLogP1.25
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.25
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

2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106591659
(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
CID 79182901
(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
CID 79182993
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
CID 79182728
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
N-methyl-1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171290
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate?
The IUPAC name of (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate (CID 106592454) is (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate.
What is the SMILES notation for (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate?
The canonical SMILES for (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate is CC(C(=O)OCC1CN(C)CCO1)c1cccc(N)c1.
What is the InChIKey of (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate?
The InChIKey is UIGGHXDKVZPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(12-4-3-5-13(16)8-12)15(18)20-10-14-9-17(2)6-7-19-14/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3.
What are the key properties of (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate?
(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate is sourced from PubChem (CID 106592454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).