cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate

C22H22NO4- — CID 86295180

IUPACcis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
SMILESO=C(N[C@@H]1CCCC[C@@H]1C(=O)[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/p-1/t18-,20+/m0/s1
InChIKeyNZMNDTGOODAUNI-AZUAARDMSA-M
MW364.42 g/mol
LogP2.83
Rot. Bonds4

About cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate

cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate (PubChem CID 86295180) has the molecular formula C22H22NO4- and a molecular weight of 364.42 g/mol. Its IUPAC name is cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
PubChem CID86295180
Molecular FormulaC22H22NO4-
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Namecis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
SMILESO=C(N[C@@H]1CCCC[C@@H]1C(=O)[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/p-1/t18-,20+/m0/s1
InChIKeyNZMNDTGOODAUNI-AZUAARDMSA-M
XLogP2.83
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate?
The IUPAC name of cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate (CID 86295180) is cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate is O=C(N[C@@H]1CCCC[C@@H]1C(=O)[O-])OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate?
The InChIKey is NZMNDTGOODAUNI-AZUAARDMSA-M. The full InChI is InChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/p-1/t18-,20+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate?
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 86295180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).