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

C11H20N2O5 — CID 155895331

IUPAC6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOCC(N)(C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-10(2,3)18-9(16)13-4-5-17-7-11(12,6-13)8(14)15/h4-7,12H2,1-3H3,(H,14,15)
InChIKeyVUTBYYVUMZVWRR-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.04
Rot. Bonds1

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

6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid (PubChem CID 155895331) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
PubChem CID155895331
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCOCC(N)(C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-10(2,3)18-9(16)13-4-5-17-7-11(12,6-13)8(14)15/h4-7,12H2,1-3H3,(H,14,15)
InChIKeyVUTBYYVUMZVWRR-UHFFFAOYSA-N
XLogP0.04
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-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

Related Compounds

2-[6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-6-yl]acetic acid
CID 155893559
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
CID 167468562
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 22309142
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
CID 71305747
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid
CID 103719540
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid?
The IUPAC name of 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid (CID 155895331) is 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid.
What is the SMILES notation for 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid?
The canonical SMILES for 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid is CC(C)(C)OC(=O)N1CCOCC(N)(C(=O)O)C1.
What is the InChIKey of 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid?
The InChIKey is VUTBYYVUMZVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-10(2,3)18-9(16)13-4-5-17-7-11(12,6-13)8(14)15/h4-7,12H2,1-3H3,(H,14,15).
What are the key properties of 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid?
6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid is sourced from PubChem (CID 155895331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).