(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid

C15H21NO3 — CID 100552037

IUPAC(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCc1cccc(C)c1C[C@H](C(=O)O)N1CCOCC1
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-12(2)13(11)10-14(15(17)18)16-6-8-19-9-7-16/h3-5,14H,6-10H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyGKVGWWZSUQDNIS-CQSZACIVSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds4

About (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid

(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid (PubChem CID 100552037) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
PubChem CID100552037
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCc1cccc(C)c1C[C@H](C(=O)O)N1CCOCC1
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-12(2)13(11)10-14(15(17)18)16-6-8-19-9-7-16/h3-5,14H,6-10H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyGKVGWWZSUQDNIS-CQSZACIVSA-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

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Related Compounds

N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine
CID 5702571
Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
Ethyl 1-(2-methoxy-1-methylethyl)-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 16189033
1-Piperazineacetic acid, alpha-benzyl-4-methyl-, methyl ester
CID 201850
(3S)-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 1092119
2-(Morpholin-4-yl)-3-phenylpropanoic acid
CID 5191522
2-Morpholin-4-yl-4-phenylbutanoic acid
CID 288821
(4-Fluoro-3-methylphenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 46984814
(2,4-Dimethylphenyl)[methyl(3-morpholin-4-ylpropyl)amino]acetic acid
CID 72851294
(3,5-Dimethylphenyl)[methyl(3-morpholin-4-ylpropyl)amino]acetic acid
CID 72852328
(3,4-Dimethylphenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72874530

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The IUPAC name of (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid (CID 100552037) is (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid is Cc1cccc(C)c1C[C@H](C(=O)O)N1CCOCC1.
What is the InChIKey of (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
The InChIKey is GKVGWWZSUQDNIS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-3-5-12(2)13(11)10-14(15(17)18)16-6-8-19-9-7-16/h3-5,14H,6-10H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid?
(2R)-3-(2,6-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 (2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 100552037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).