2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid

C17H21NO4 — CID 99607585

IUPAC2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccccc1C1(C(=O)N2CCO[C@H](CC(=O)O)C2)CC1
InChIInChI=1S/C17H21NO4/c1-12-4-2-3-5-14(12)17(6-7-17)16(21)18-8-9-22-13(11-18)10-15(19)20/h2-5,13H,6-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZTQIZNHPQXQECC-CYBMUJFWSA-N
MW303.36 g/mol
LogP1.73
Rot. Bonds4

About 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 99607585) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID99607585
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccccc1C1(C(=O)N2CCO[C@H](CC(=O)O)C2)CC1
InChIInChI=1S/C17H21NO4/c1-12-4-2-3-5-14(12)17(6-7-17)16(21)18-8-9-22-13(11-18)10-15(19)20/h2-5,13H,6-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZTQIZNHPQXQECC-CYBMUJFWSA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethyl)morpholin-4-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126772723
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 94676078
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 119248198
[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone
CID 126775057
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid (CID 99607585) is 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is Cc1ccccc1C1(C(=O)N2CCO[C@H](CC(=O)O)C2)CC1.
What is the InChIKey of 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is ZTQIZNHPQXQECC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12-4-2-3-5-14(12)17(6-7-17)16(21)18-8-9-22-13(11-18)10-15(19)20/h2-5,13H,6-11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 99607585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).