6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid

C14H25NO6 — CID 177369974

IUPAC6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid
SMILESCCCC1(O)COC(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO6/c1-5-6-14(19)8-15(12(18)21-13(2,3)4)7-10(11(16)17)20-9-14/h10,19H,5-9H2,1-4H3,(H,16,17)
InChIKeyLRWYOQOZZMCPPL-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.24
Rot. Bonds3

About 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid

6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid (PubChem CID 177369974) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid
PubChem CID177369974
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid
SMILESCCCC1(O)COC(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO6/c1-5-6-14(19)8-15(12(18)21-13(2,3)4)7-10(11(16)17)20-9-14/h10,19H,5-9H2,1-4H3,(H,16,17)
InChIKeyLRWYOQOZZMCPPL-UHFFFAOYSA-N
XLogP1.24
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid (CID 177369974) is 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid is CCCC1(O)COC(C(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid?
The InChIKey is LRWYOQOZZMCPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-5-6-14(19)8-15(12(18)21-13(2,3)4)7-10(11(16)17)20-9-14/h10,19H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid?
6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-propyl-1,4-oxazepane-2-carboxylic acid is sourced from PubChem (CID 177369974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).