4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid

C16H21NO5 — CID 119238893

IUPAC4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
SMILESCC(C)COc1cccc(C(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C16H21NO5/c1-11(2)10-22-13-5-3-4-12(8-13)15(18)17-6-7-21-14(9-17)16(19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyFXIYTUXORZEPOL-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.65
Rot. Bonds5

About 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid

4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid (PubChem CID 119238893) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
PubChem CID119238893
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
SMILESCC(C)COc1cccc(C(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C16H21NO5/c1-11(2)10-22-13-5-3-4-12(8-13)15(18)17-6-7-21-14(9-17)16(19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyFXIYTUXORZEPOL-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

4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427
(3S,4S)-4-methyl-1-[3-(2-methylpropoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952417
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
6-[3-(2-methylpropoxy)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174556
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
CID 119239464
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid (CID 119238893) is 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid is CC(C)COc1cccc(C(=O)N2CCOC(C(=O)O)C2)c1.
What is the InChIKey of 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is FXIYTUXORZEPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(2)10-22-13-5-3-4-12(8-13)15(18)17-6-7-21-14(9-17)16(19)20/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic 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 4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).