(2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid

C24H27NO4 — CID 66601203

IUPAC(2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C24H27NO4/c1-25(22(23(26)27)16-9-3-2-4-10-16)24(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h5-8,11-14,16,21-22H,2-4,9-10,15H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyZVTSJEYBSAOGMV-QFIPXVFZSA-N
MW393.48 g/mol
LogP4.90
Rot. Bonds5

About (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid

(2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (PubChem CID 66601203) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
PubChem CID66601203
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name(2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C24H27NO4/c1-25(22(23(26)27)16-9-3-2-4-10-16)24(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h5-8,11-14,16,21-22H,2-4,9-10,15H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyZVTSJEYBSAOGMV-QFIPXVFZSA-N
XLogP4.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The IUPAC name of (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (CID 66601203) is (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The canonical SMILES for (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The InChIKey is ZVTSJEYBSAOGMV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27NO4/c1-25(22(23(26)27)16-9-3-2-4-10-16)24(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h5-8,11-14,16,21-22H,2-4,9-10,15H2,1H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
(2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid has a molecular weight of 393.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 66601203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).