2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid

C20H24N2O3 — CID 110452254

IUPAC2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H24N2O3/c23-20(24)19(14-16-4-2-1-3-5-16)21-18-8-6-17(7-9-18)15-22-10-12-25-13-11-22/h1-9,19,21H,10-15H2,(H,23,24)
InChIKeyNQIDLUZBCKJKBI-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid

2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid (PubChem CID 110452254) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid
PubChem CID110452254
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H24N2O3/c23-20(24)19(14-16-4-2-1-3-5-16)21-18-8-6-17(7-9-18)15-22-10-12-25-13-11-22/h1-9,19,21H,10-15H2,(H,23,24)
InChIKeyNQIDLUZBCKJKBI-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid 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

(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 67670933
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
2-(benzylamino)-3-morpholin-4-ylpropanoic acid
CID 91254110
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
(2R)-N-(2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]propanamide
CID 25355403
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid?
The IUPAC name of 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid (CID 110452254) is 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid?
The InChIKey is NQIDLUZBCKJKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(24)19(14-16-4-2-1-3-5-16)21-18-8-6-17(7-9-18)15-22-10-12-25-13-11-22/h1-9,19,21H,10-15H2,(H,23,24).
What are the key properties of 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid?
2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid has a molecular weight of 340.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid is sourced from PubChem (CID 110452254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).