(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid

C15H21NO3 — CID 94693944

IUPAC(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCc1ccc(C)c(C[C@@H](C(=O)O)N2CCOCC2)c1
InChIInChI=1S/C15H21NO3/c1-11-3-4-12(2)13(9-11)10-14(15(17)18)16-5-7-19-8-6-16/h3-4,9,14H,5-8,10H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyMOVCMQLVDWNMKL-AWEZNQCLSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds4

About (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid

(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid (PubChem CID 94693944) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
PubChem CID94693944
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCc1ccc(C)c(C[C@@H](C(=O)O)N2CCOCC2)c1
InChIInChI=1S/C15H21NO3/c1-11-3-4-12(2)13(9-11)10-14(15(17)18)16-5-7-19-8-6-16/h3-4,9,14H,5-8,10H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyMOVCMQLVDWNMKL-AWEZNQCLSA-N
XLogP1.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic 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)-3-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100553628
(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100552037
(2S)-3-(5-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 94695695
3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
CID 82088132
(2R)-3-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 94711132
(2S)-3-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 94711131
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate
CID 25233392
1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057606
2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
CID 18957404
2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 83736200

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The IUPAC name of (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid (CID 94693944) is (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid is Cc1ccc(C)c(C[C@@H](C(=O)O)N2CCOCC2)c1.
What is the InChIKey of (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The InChIKey is MOVCMQLVDWNMKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-3-4-12(2)13(9-11)10-14(15(17)18)16-5-7-19-8-6-16/h3-4,9,14H,5-8,10H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 94693944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).