5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid

C18H23NO5 — CID 122661796

IUPAC5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(OC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H23NO5/c20-16(12-7-13-17(21)22)19(15-10-5-2-6-11-15)24-18(23)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,21,22)
InChIKeyIBTCEWIYLVOPFR-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.17
Rot. Bonds6

About 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid

5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid (PubChem CID 122661796) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid
PubChem CID122661796
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(OC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H23NO5/c20-16(12-7-13-17(21)22)19(15-10-5-2-6-11-15)24-18(23)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,21,22)
InChIKeyIBTCEWIYLVOPFR-UHFFFAOYSA-N
XLogP3.17
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[cyclohexyl(5-oxopentanoyl)amino] benzoate
CID 146263815
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
[(5-amino-5-oxopentanoyl)-methylamino] benzoate
CID 122661865
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-benzoyloxy-3-cyclohexylpropanoic acid
CID 170239924
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573

Frequently Asked Questions

What is the IUPAC name of 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid (CID 122661796) is 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)N(OC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid?
The InChIKey is IBTCEWIYLVOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c20-16(12-7-13-17(21)22)19(15-10-5-2-6-11-15)24-18(23)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,21,22).
What are the key properties of 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid?
5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid has a molecular weight of 333.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzoyloxy(cyclohexyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 122661796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).