2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid

C15H20N2O5 — CID 132948171

IUPAC2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
SMILESCC1(C(N)=O)CN(Cc2ccc(OCC(=O)O)cc2)CCO1
InChIInChI=1S/C15H20N2O5/c1-15(14(16)20)10-17(6-7-22-15)8-11-2-4-12(5-3-11)21-9-13(18)19/h2-5H,6-10H2,1H3,(H2,16,20)(H,18,19)
InChIKeyAPDXNBBAZUFNOG-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.23
Rot. Bonds6

About 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid

2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid (PubChem CID 132948171) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
PubChem CID132948171
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
SMILESCC1(C(N)=O)CN(Cc2ccc(OCC(=O)O)cc2)CCO1
InChIInChI=1S/C15H20N2O5/c1-15(14(16)20)10-17(6-7-22-15)8-11-2-4-12(5-3-11)21-9-13(18)19/h2-5H,6-10H2,1H3,(H2,16,20)(H,18,19)
InChIKeyAPDXNBBAZUFNOG-UHFFFAOYSA-N
XLogP0.23
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2R)-2-methyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124983073
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
CID 124945933
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312
1-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064263
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
(2R)-2-methyl-4-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 95839767
(2S)-2-methyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632634
2-[5-[[(2S)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 124969662
2-[4-[[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 74233182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid (CID 132948171) is 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid is CC1(C(N)=O)CN(Cc2ccc(OCC(=O)O)cc2)CCO1.
What is the InChIKey of 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid?
The InChIKey is APDXNBBAZUFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(14(16)20)10-17(6-7-22-15)8-11-2-4-12(5-3-11)21-9-13(18)19/h2-5H,6-10H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid?
2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 132948171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).