5-(benzoyloxycarbonylamino)hexanoic acid

C14H17NO5 — CID 87308956

IUPAC5-(benzoyloxycarbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)OC(=O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-10(6-5-9-12(16)17)15-14(19)20-13(18)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyCQJJYTNKJDZOFP-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.20
Rot. Bonds6

About 5-(benzoyloxycarbonylamino)hexanoic acid

5-(benzoyloxycarbonylamino)hexanoic acid (PubChem CID 87308956) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-(benzoyloxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(benzoyloxycarbonylamino)hexanoic acid
PubChem CID87308956
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name5-(benzoyloxycarbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)OC(=O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-10(6-5-9-12(16)17)15-14(19)20-13(18)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyCQJJYTNKJDZOFP-UHFFFAOYSA-N
XLogP2.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-(benzoyloxycarbonylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzoyloxycarbonylamino)butyl 4-ethylbenzoate
CID 175111457
(2S)-2-(benzoyloxycarbonylamino)-4-methylpentanoic acid
CID 101027810
5-(2-phenylpropylcarbamoylamino)hexanoic acid
CID 104592008
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
benzoic acid;bis(5-methylhexanoic acid)
CID 68983380
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-[[methyl(phenyl)carbamoyl]amino]hexanoic acid
CID 82846573
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
(3R)-3-(benzoyloxycarbonylamino)-4-phenylbutanoic acid
CID 86589631
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293

Frequently Asked Questions

What is the IUPAC name of 5-(benzoyloxycarbonylamino)hexanoic acid?
The IUPAC name of 5-(benzoyloxycarbonylamino)hexanoic acid (CID 87308956) is 5-(benzoyloxycarbonylamino)hexanoic acid.
What is the SMILES notation for 5-(benzoyloxycarbonylamino)hexanoic acid?
The canonical SMILES for 5-(benzoyloxycarbonylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)OC(=O)c1ccccc1.
What is the InChIKey of 5-(benzoyloxycarbonylamino)hexanoic acid?
The InChIKey is CQJJYTNKJDZOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-10(6-5-9-12(16)17)15-14(19)20-13(18)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 5-(benzoyloxycarbonylamino)hexanoic acid?
5-(benzoyloxycarbonylamino)hexanoic acid has a molecular weight of 279.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzoyloxycarbonylamino)hexanoic acid is sourced from PubChem (CID 87308956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).