2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid

C24H31NO4 — CID 119248000

IUPAC2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(C23CC4CC(CC(C(=O)N5CCOC(CC(=O)O)C5)(C4)C2)C3)cc1
InChIInChI=1S/C24H31NO4/c1-16-2-4-19(5-3-16)23-10-17-8-18(11-23)13-24(12-17,15-23)22(28)25-6-7-29-20(14-25)9-21(26)27/h2-5,17-18,20H,6-15H2,1H3,(H,26,27)
InChIKeyOMVXJUSNFJMORF-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.54
Rot. Bonds4

About 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid

2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248000) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248000
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(C23CC4CC(CC(C(=O)N5CCOC(CC(=O)O)C5)(C4)C2)C3)cc1
InChIInChI=1S/C24H31NO4/c1-16-2-4-19(5-3-16)23-10-17-8-18(11-23)13-24(12-17,15-23)22(28)25-6-7-29-20(14-25)9-21(26)27/h2-5,17-18,20H,6-15H2,1H3,(H,26,27)
InChIKeyOMVXJUSNFJMORF-UHFFFAOYSA-N
XLogP3.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]morpholine-2-carboxylic acid
CID 119357938
1-[3-(4-methylphenyl)adamantane-1-carbonyl]piperidine-4-carbonitrile
CID 49062811
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
1-adamantyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81196275
azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
[3-(3,4-dimethylphenyl)-1-adamantyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 167895076
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
[3-(3,4-dimethylphenyl)-1-adamantyl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 166217046
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid (CID 119248000) is 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid is Cc1ccc(C23CC4CC(CC(C(=O)N5CCOC(CC(=O)O)C5)(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is OMVXJUSNFJMORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-16-2-4-19(5-3-16)23-10-17-8-18(11-23)13-24(12-17,15-23)22(28)25-6-7-29-20(14-25)9-21(26)27/h2-5,17-18,20H,6-15H2,1H3,(H,26,27).
What are the key properties of 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 397.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).