hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

About hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate (PubChem CID 25078882) has the molecular formula C30H47N3O7 and a molecular weight of 561.72 g/mol. Its IUPAC name is hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate.

Molecular Properties

Compound Name	hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
PubChem CID	25078882
Molecular Formula	C30H47N3O7
Molecular Weight	561.72 g/mol
Exact Mass	561.34
IUPAC Name	hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
SMILES	C=CCCCCOC(=O)[C@@H]1[C@H]2C(=O)N([C@@H](CO)C(C)C)C(C(=O)N(CC=C)CCN3CCOCC3)C23CC[C@H]1O3
InChI	InChI=1S/C30H47N3O7/c1-5-7-8-9-17-39-29(37)24-23-10-11-30(40-23)25(24)27(35)33(22(20-34)21(3)4)26(30)28(36)32(12-6-2)14-13-31-15-18-38-19-16-31/h5-6,21-26,34H,1-2,7-20H2,3-4H3/t22-,23+,24-,25-,26?,30?/m0/s1
InChIKey	OXKLYMCTOBYLST-IBZDSLIXSA-N
XLogP	1.62
TPSA	108.85 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	15
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.72
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The IUPAC name of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate (CID 25078882) is hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate.

What is the SMILES notation for hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The canonical SMILES for hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate is C=CCCCCOC(=O)[C@@H]1[C@H]2C(=O)N([C@@H](CO)C(C)C)C(C(=O)N(CC=C)CCN3CCOCC3)C23CC[C@H]1O3.

What is the InChIKey of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

The InChIKey is OXKLYMCTOBYLST-IBZDSLIXSA-N. The full InChI is InChI=1S/C30H47N3O7/c1-5-7-8-9-17-39-29(37)24-23-10-11-30(40-23)25(24)27(35)33(22(20-34)21(3)4)26(30)28(36)32(12-6-2)14-13-31-15-18-38-19-16-31/h5-6,21-26,34H,1-2,7-20H2,3-4H3/t22-,23+,24-,25-,26?,30?/m0/s1.

What are the key properties of hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate?

hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate has a molecular weight of 561.72 g/mol, XLogP of 1.62, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for hex-5-enyl (5R,6R,7R)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-[2-morpholin-4-ylethyl(prop-2-enyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate is sourced from PubChem (CID 25078882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).