2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid

C15H19NO5 — CID 43214310

IUPAC2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCCC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO5/c17-14(16-7-10-20-11-8-16)6-3-9-21-13-5-2-1-4-12(13)15(18)19/h1-2,4-5H,3,6-11H2,(H,18,19)
InChIKeyQKYWPAPXBGKUKC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.40
Rot. Bonds6

About 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid

2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid (PubChem CID 43214310) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
PubChem CID43214310
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCCC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO5/c17-14(16-7-10-20-11-8-16)6-3-9-21-13-5-2-1-4-12(13)15(18)19/h1-2,4-5H,3,6-11H2,(H,18,19)
InChIKeyQKYWPAPXBGKUKC-UHFFFAOYSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(4-ethoxy-4-oxobutoxy)benzoic acid
CID 139610129
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
2-[2-(oxan-4-ylmethylamino)ethoxy]benzoic acid
CID 103250909
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 108533628
2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide
CID 142630847

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid?
The IUPAC name of 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid (CID 43214310) is 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid.
What is the SMILES notation for 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid?
The canonical SMILES for 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid is O=C(O)c1ccccc1OCCCC(=O)N1CCOCC1.
What is the InChIKey of 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid?
The InChIKey is QKYWPAPXBGKUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(16-7-10-20-11-8-16)6-3-9-21-13-5-2-1-4-12(13)15(18)19/h1-2,4-5H,3,6-11H2,(H,18,19).
What are the key properties of 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid?
2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid is sourced from PubChem (CID 43214310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).