2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid

C16H21NO5 — CID 120550406

IUPAC2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
SMILESCC(C)C1CN(C(=O)c2cccc(OCC(=O)O)c2)CCO1
InChIInChI=1S/C16H21NO5/c1-11(2)14-9-17(6-7-21-14)16(20)12-4-3-5-13(8-12)22-10-15(18)19/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyPPEXJMHSPSJBBN-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.65
Rot. Bonds5

About 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid

2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid (PubChem CID 120550406) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
PubChem CID120550406
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
SMILESCC(C)C1CN(C(=O)c2cccc(OCC(=O)O)c2)CCO1
InChIInChI=1S/C16H21NO5/c1-11(2)14-9-17(6-7-21-14)16(20)12-4-3-5-13(8-12)22-10-15(18)19/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyPPEXJMHSPSJBBN-UHFFFAOYSA-N
XLogP1.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid
CID 129466702
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[3-(2,2-dicyclopropylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 136552167
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenoxy]acetic acid
CID 119182562
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid (CID 120550406) is 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid is CC(C)C1CN(C(=O)c2cccc(OCC(=O)O)c2)CCO1.
What is the InChIKey of 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid?
The InChIKey is PPEXJMHSPSJBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(2)14-9-17(6-7-21-14)16(20)12-4-3-5-13(8-12)22-10-15(18)19/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid?
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 120550406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).