4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid

C16H21NO5 — CID 119185780

IUPAC4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
SMILESCOCC1CN(C(=O)CCc2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C16H21NO5/c1-21-11-14-10-17(8-9-22-14)15(18)7-4-12-2-5-13(6-3-12)16(19)20/h2-3,5-6,14H,4,7-11H2,1H3,(H,19,20)
InChIKeyNLQFLVLCXRBYFX-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.19
Rot. Bonds6

About 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid

4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid (PubChem CID 119185780) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
PubChem CID119185780
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
SMILESCOCC1CN(C(=O)CCc2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C16H21NO5/c1-21-11-14-10-17(8-9-22-14)15(18)7-4-12-2-5-13(6-3-12)16(19)20/h2-3,5-6,14H,4,7-11H2,1H3,(H,19,20)
InChIKeyNLQFLVLCXRBYFX-UHFFFAOYSA-N
XLogP1.19
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate
CID 56785300
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
4-[3-[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridin-6-yl]-3-oxopropyl]benzoic acid
CID 154868443
4-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 82071036
4-amino-1-[2-(methoxymethyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120562971
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248355
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880
3-(3-bromo-4-methoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81196735

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid?
The IUPAC name of 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid (CID 119185780) is 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid.
What is the SMILES notation for 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid?
The canonical SMILES for 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid is COCC1CN(C(=O)CCc2ccc(C(=O)O)cc2)CCO1.
What is the InChIKey of 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid?
The InChIKey is NLQFLVLCXRBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-11-14-10-17(8-9-22-14)15(18)7-4-12-2-5-13(6-3-12)16(19)20/h2-3,5-6,14H,4,7-11H2,1H3,(H,19,20).
What are the key properties of 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid?
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid has a molecular weight of 307.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 119185780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).