(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

C17H21NO5 — CID 125154261

IUPAC(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESCOc1cc(C2(C(=O)N3CCO[C@@H](C(=O)O)C3)CC2)ccc1C
InChIInChI=1S/C17H21NO5/c1-11-3-4-12(9-13(11)22-2)17(5-6-17)16(21)18-7-8-23-14(10-18)15(19)20/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyYYVTWGHIORQFMG-CQSZACIVSA-N
MW319.36 g/mol
LogP1.35
Rot. Bonds4

About (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 125154261) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
PubChem CID125154261
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESCOc1cc(C2(C(=O)N3CCO[C@@H](C(=O)O)C3)CC2)ccc1C
InChIInChI=1S/C17H21NO5/c1-11-3-4-12(9-13(11)22-2)17(5-6-17)16(21)18-7-8-23-14(10-18)15(19)20/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyYYVTWGHIORQFMG-CQSZACIVSA-N
XLogP1.35
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 119349942
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540306
1-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256385
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
CID 125150565
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (CID 125154261) is (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is COc1cc(C2(C(=O)N3CCO[C@@H](C(=O)O)C3)CC2)ccc1C.
What is the InChIKey of (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is YYVTWGHIORQFMG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO5/c1-11-3-4-12(9-13(11)22-2)17(5-6-17)16(21)18-7-8-23-14(10-18)15(19)20/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125154261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).