9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate

C23H20N2O3 — CID 177172610

IUPAC9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
SMILESNc1ccc2c(c1)N(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2
InChIInChI=1S/C23H20N2O3/c24-15-9-10-22-21(13-15)25(11-12-27-22)23(26)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20H,11-12,14,24H2
InChIKeyRNASWEYJQQCFHE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.42
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate

9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate (PubChem CID 177172610) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
PubChem CID177172610
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
SMILESNc1ccc2c(c1)N(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2
InChIInChI=1S/C23H20N2O3/c24-15-9-10-22-21(13-15)25(11-12-27-22)23(26)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20H,11-12,14,24H2
InChIKeyRNASWEYJQQCFHE-UHFFFAOYSA-N
XLogP4.42
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 63404851
6-bromo-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydroindole-4-carboxylic acid
CID 155970936
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171942211
9H-fluoren-9-ylmethyl (4R)-4-ethyl-5-methoxy-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 167639273
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435
9H-fluoren-9-ylmethyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171962965
9H-fluoren-9-ylmethyl 3-(2,3-dihydro-1-benzofuran-5-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171966654
7-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 101100223
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate (CID 177172610) is 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate is Nc1ccc2c(c1)N(C(=O)OCC1c3ccccc3-c3ccccc31)CCO2.
What is the InChIKey of 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate?
The InChIKey is RNASWEYJQQCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c24-15-9-10-22-21(13-15)25(11-12-27-22)23(26)28-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20H,11-12,14,24H2.
What are the key properties of 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate?
9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate is sourced from PubChem (CID 177172610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).