3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid

C14H17NO4 — CID 28760123

IUPAC3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c16-13(17)6-3-11-1-4-12(5-2-11)14(18)15-7-9-19-10-8-15/h1-2,4-5H,3,6-10H2,(H,16,17)
InChIKeyQBMWGJFUZKSUIP-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.18
Rot. Bonds4

About 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid

3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid (PubChem CID 28760123) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
PubChem CID28760123
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c16-13(17)6-3-11-1-4-12(5-2-11)14(18)15-7-9-19-10-8-15/h1-2,4-5H,3,6-10H2,(H,16,17)
InChIKeyQBMWGJFUZKSUIP-UHFFFAOYSA-N
XLogP1.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
CID 110006533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid (CID 28760123) is 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid is O=C(O)CCc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid?
The InChIKey is QBMWGJFUZKSUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)6-3-11-1-4-12(5-2-11)14(18)15-7-9-19-10-8-15/h1-2,4-5H,3,6-10H2,(H,16,17).
What are the key properties of 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid?
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid is sourced from PubChem (CID 28760123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).