[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid

C21H20N2O5 — CID 166790261

IUPAC[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid
SMILESC[C@H](c1ccc2c(c1)O[C@]1(O)c3cccc(N)c3C(=O)[C@]21NC(=O)O)C1CC1
InChIInChI=1S/C21H20N2O5/c1-10(11-5-6-11)12-7-8-13-16(9-12)28-21(27)14-3-2-4-15(22)17(14)18(24)20(13,21)23-19(25)26/h2-4,7-11,23,27H,5-6,22H2,1H3,(H,25,26)/t10-,20+,21+/m0/s1
InChIKeyFKUWFWLOORHZRG-RHCHPXTOSA-N
MW380.40 g/mol
LogP2.68
Rot. Bonds3

About [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid

[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid (PubChem CID 166790261) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid.

Molecular Properties

Compound Name[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid
PubChem CID166790261
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid
SMILESC[C@H](c1ccc2c(c1)O[C@]1(O)c3cccc(N)c3C(=O)[C@]21NC(=O)O)C1CC1
InChIInChI=1S/C21H20N2O5/c1-10(11-5-6-11)12-7-8-13-16(9-12)28-21(27)14-3-2-4-15(22)17(14)18(24)20(13,21)23-19(25)26/h2-4,7-11,23,27H,5-6,22H2,1H3,(H,25,26)/t10-,20+,21+/m0/s1
InChIKeyFKUWFWLOORHZRG-RHCHPXTOSA-N
XLogP2.68
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic 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 [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid?
The IUPAC name of [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid (CID 166790261) is [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid.
What is the SMILES notation for [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid?
The canonical SMILES for [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid is C[C@H](c1ccc2c(c1)O[C@]1(O)c3cccc(N)c3C(=O)[C@]21NC(=O)O)C1CC1.
What is the InChIKey of [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid?
The InChIKey is FKUWFWLOORHZRG-RHCHPXTOSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-10(11-5-6-11)12-7-8-13-16(9-12)28-21(27)14-3-2-4-15(22)17(14)18(24)20(13,21)23-19(25)26/h2-4,7-11,23,27H,5-6,22H2,1H3,(H,25,26)/t10-,20+,21+/m0/s1.
What are the key properties of [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid?
[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid has a molecular weight of 380.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid is sourced from PubChem (CID 166790261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).