cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid

C23H25NO4 — CID 170917274

IUPACcis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C23H25NO4/c1-24(21-13-7-6-12-19(21)22(25)26)23(27)28-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-5,8-11,19-21H,6-7,12-14H2,1H3,(H,25,26)/t19-,21+/m0/s1
InChIKeyUWNMWBYQEKNXHL-PZJWPPBQSA-N
MW379.46 g/mol
LogP4.51
Rot. Bonds4

About cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 170917274) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID170917274
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namecis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C23H25NO4/c1-24(21-13-7-6-12-19(21)22(25)26)23(27)28-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-5,8-11,19-21H,6-7,12-14H2,1H3,(H,25,26)/t19-,21+/m0/s1
InChIKeyUWNMWBYQEKNXHL-PZJWPPBQSA-N
XLogP4.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 22259969
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylcyclobutane-1-carboxylic acid
CID 103563622
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
2-cycloheptyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103695913
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
3-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155894800
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 170917274) is cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UWNMWBYQEKNXHL-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H25NO4/c1-24(21-13-7-6-12-19(21)22(25)26)23(27)28-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-5,8-11,19-21H,6-7,12-14H2,1H3,(H,25,26)/t19-,21+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 170917274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).