2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid

C13H15NO5 — CID 66435355

IUPAC2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(C(=O)Oc2ccccc2)CCO1
InChIInChI=1S/C13H15NO5/c15-12(16)8-11-9-14(6-7-18-11)13(17)19-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyUBQKTQBUIMBKHV-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.36
Rot. Bonds3

About 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid

2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid (PubChem CID 66435355) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
PubChem CID66435355
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(C(=O)Oc2ccccc2)CCO1
InChIInChI=1S/C13H15NO5/c15-12(16)8-11-9-14(6-7-18-11)13(17)19-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChIKeyUBQKTQBUIMBKHV-UHFFFAOYSA-N
XLogP1.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81218922
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
CID 64617419
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid (CID 66435355) is 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid is O=C(O)CC1CN(C(=O)Oc2ccccc2)CCO1.
What is the InChIKey of 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid?
The InChIKey is UBQKTQBUIMBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)8-11-9-14(6-7-18-11)13(17)19-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16).
What are the key properties of 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid?
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid has a molecular weight of 265.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 66435355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).