(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid

C19H24N2O6 — CID 10992436

IUPAC(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid
SMILESCOc1ccc(C2=NO[C@@]3(C2)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)cc1
InChIInChI=1S/C19H24N2O6/c1-18(2,3)26-17(24)21-11-19(10-15(21)16(22)23)9-14(20-27-19)12-5-7-13(25-4)8-6-12/h5-8,15H,9-11H2,1-4H3,(H,22,23)/t15-,19-/m0/s1
InChIKeyJOQRSWZAYBIVRI-KXBFYZLASA-N
MW376.41 g/mol
LogP2.65
Rot. Bonds3

About (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid

(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid (PubChem CID 10992436) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid.

Molecular Properties

Compound Name(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid
PubChem CID10992436
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid
SMILESCOc1ccc(C2=NO[C@@]3(C2)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)cc1
InChIInChI=1S/C19H24N2O6/c1-18(2,3)26-17(24)21-11-19(10-15(21)16(22)23)9-14(20-27-19)12-5-7-13(25-4)8-6-12/h5-8,15H,9-11H2,1-4H3,(H,22,23)/t15-,19-/m0/s1
InChIKeyJOQRSWZAYBIVRI-KXBFYZLASA-N
XLogP2.65
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-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 (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid?
The IUPAC name of (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid (CID 10992436) is (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid.
What is the SMILES notation for (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid?
The canonical SMILES for (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid is COc1ccc(C2=NO[C@@]3(C2)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)cc1.
What is the InChIKey of (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid?
The InChIKey is JOQRSWZAYBIVRI-KXBFYZLASA-N. The full InChI is InChI=1S/C19H24N2O6/c1-18(2,3)26-17(24)21-11-19(10-15(21)16(22)23)9-14(20-27-19)12-5-7-13(25-4)8-6-12/h5-8,15H,9-11H2,1-4H3,(H,22,23)/t15-,19-/m0/s1.
What are the key properties of (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid?
(5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-3-(4-methoxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxylic acid is sourced from PubChem (CID 10992436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).