2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid

C19H23NO5 — CID 136552167

IUPAC2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCOC(C3CC3)(C3CC3)C2)c1
InChIInChI=1S/C19H23NO5/c21-17(22)11-24-16-3-1-2-13(10-16)18(23)20-8-9-25-19(12-20,14-4-5-14)15-6-7-15/h1-3,10,14-15H,4-9,11-12H2,(H,21,22)
InChIKeyAATYVYSHDAGCOE-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.18
Rot. Bonds6

About 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid

2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid (PubChem CID 136552167) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
PubChem CID136552167
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCOC(C3CC3)(C3CC3)C2)c1
InChIInChI=1S/C19H23NO5/c21-17(22)11-24-16-3-1-2-13(10-16)18(23)20-8-9-25-19(12-20,14-4-5-14)15-6-7-15/h1-3,10,14-15H,4-9,11-12H2,(H,21,22)
InChIKeyAATYVYSHDAGCOE-UHFFFAOYSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-[4-[(5R)-3-benzyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl]piperidine-1-carbonyl]phenoxy]acetic acid
CID 125009330
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid
CID 129466702
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
2-[3-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119186986
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 119182165
2-[3-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenoxy]acetic acid
CID 119182562

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid (CID 136552167) is 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N2CCOC(C3CC3)(C3CC3)C2)c1.
What is the InChIKey of 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid?
The InChIKey is AATYVYSHDAGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c21-17(22)11-24-16-3-1-2-13(10-16)18(23)20-8-9-25-19(12-20,14-4-5-14)15-6-7-15/h1-3,10,14-15H,4-9,11-12H2,(H,21,22).
What are the key properties of 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid?
2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid has a molecular weight of 345.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 136552167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).