(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid

C17H23NO5 — CID 129468451

IUPAC(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid
SMILESCc1ccc(C(C)C)c(OCC(=O)N2CCO[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C17H23NO5/c1-11(2)13-5-4-12(3)8-14(13)23-10-16(19)18-6-7-22-15(9-18)17(20)21/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyCJHZIDGVWYBTTQ-OAHLLOKOSA-N
MW321.37 g/mol
LogP1.81
Rot. Bonds5

About (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid

(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid (PubChem CID 129468451) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid
PubChem CID129468451
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid
SMILESCc1ccc(C(C)C)c(OCC(=O)N2CCO[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C17H23NO5/c1-11(2)13-5-4-12(3)8-14(13)23-10-16(19)18-6-7-22-15(9-18)17(20)21/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyCJHZIDGVWYBTTQ-OAHLLOKOSA-N
XLogP1.81
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(hydroxymethyl)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 110878423
1-(3-methylpiperazin-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119577423
4-methyl-1-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]pentan-1-one
CID 60548006
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 134060037
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 124612722
4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239122
1-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496771
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]ethanone
CID 17110281
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
4-[2-(2,4-dimethylphenyl)sulfanylacetyl]morpholine-2-carboxylic acid
CID 119357957
(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 129468435

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid (CID 129468451) is (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid is Cc1ccc(C(C)C)c(OCC(=O)N2CCO[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid?
The InChIKey is CJHZIDGVWYBTTQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO5/c1-11(2)13-5-4-12(3)8-14(13)23-10-16(19)18-6-7-22-15(9-18)17(20)21/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129468451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).