2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid

C20H27NO5 — CID 125133752

IUPAC2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(C2(C(=O)N3CCO[C@H](CC(=O)O)C3)CCCC2)ccc1C
InChIInChI=1S/C20H27NO5/c1-14-5-6-15(11-17(14)25-2)20(7-3-4-8-20)19(24)21-9-10-26-16(13-21)12-18(22)23/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyJHFZZXYBAAECDI-MRXNPFEDSA-N
MW361.44 g/mol
LogP2.52
Rot. Bonds5

About 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 125133752) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID125133752
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(C2(C(=O)N3CCO[C@H](CC(=O)O)C3)CCCC2)ccc1C
InChIInChI=1S/C20H27NO5/c1-14-5-6-15(11-17(14)25-2)20(7-3-4-8-20)19(24)21-9-10-26-16(13-21)12-18(22)23/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyJHFZZXYBAAECDI-MRXNPFEDSA-N
XLogP2.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125154261
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 119248198
1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 119349942
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540306
2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
1,4-diazepan-1-yl-[1-(3-methoxy-4-methylphenyl)cyclopentyl]methanone
CID 119415679
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 164637343

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid (CID 125133752) is 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid is COc1cc(C2(C(=O)N3CCO[C@H](CC(=O)O)C3)CCCC2)ccc1C.
What is the InChIKey of 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is JHFZZXYBAAECDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27NO5/c1-14-5-6-15(11-17(14)25-2)20(7-3-4-8-20)19(24)21-9-10-26-16(13-21)12-18(22)23/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 361.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125133752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).