(1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid

C25H21NO4 — CID 86307557

IUPAC(1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid
SMILESN[C@]1(C(=O)O)Cc2ccccc2[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO4/c26-25(24(28)29)13-15-7-1-2-8-16(15)22(25)23(27)30-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14,26H2,(H,28,29)/t22-,25+/m0/s1
InChIKeyYLXLWNJXJYHPML-WIOPSUGQSA-N
MW399.45 g/mol
LogP3.46
Rot. Bonds4

About (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid

(1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 86307557) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID86307557
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name(1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid
SMILESN[C@]1(C(=O)O)Cc2ccccc2[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H21NO4/c26-25(24(28)29)13-15-7-1-2-8-16(15)22(25)23(27)30-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14,26H2,(H,28,29)/t22-,25+/m0/s1
InChIKeyYLXLWNJXJYHPML-WIOPSUGQSA-N
XLogP3.46
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-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

Related Compounds

cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
2-amino-5-ethoxy-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 69109997
1-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57366128
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-propan-2-yl-3,4,4a,5-tetrahydro-1H-naphthalene-2-carboxylic acid
CID 141048186
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
(2S,4R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)thiane-4-carboxylic acid
CID 95567242
4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 69110506
5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 165341101
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
CID 53444085
(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydroindene-1-carboxylic acid
CID 1268153

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid (CID 86307557) is (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid is N[C@]1(C(=O)O)Cc2ccccc2[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is YLXLWNJXJYHPML-WIOPSUGQSA-N. The full InChI is InChI=1S/C25H21NO4/c26-25(24(28)29)13-15-7-1-2-8-16(15)22(25)23(27)30-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14,26H2,(H,28,29)/t22-,25+/m0/s1.
What are the key properties of (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid?
(1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 86307557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).