trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate

C21H23NO2 — CID 140639603

IUPACtrans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
SMILESN[C@@H]1CCCC[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO2/c22-20-12-6-5-11-18(20)21(23)24-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13,22H2/t18-,20-/m1/s1
InChIKeyFURIPIBJYQVAOC-UYAOXDASSA-N
MW321.42 g/mol
LogP3.86
Rot. Bonds3

About trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate

trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate (PubChem CID 140639603) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
PubChem CID140639603
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Nametrans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
SMILESN[C@@H]1CCCC[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23NO2/c22-20-12-6-5-11-18(20)21(23)24-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13,22H2/t18-,20-/m1/s1
InChIKeyFURIPIBJYQVAOC-UYAOXDASSA-N
XLogP3.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077
9H-fluoren-9-ylmethyl oxane-2-carboxylate
CID 175742330
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
CID 53444085
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
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 86295180

Frequently Asked Questions

What is the IUPAC name of trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate?
The IUPAC name of trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate (CID 140639603) is trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate.
What is the SMILES notation for trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate?
The canonical SMILES for trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate is N[C@@H]1CCCC[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate?
The InChIKey is FURIPIBJYQVAOC-UYAOXDASSA-N. The full InChI is InChI=1S/C21H23NO2/c22-20-12-6-5-11-18(20)21(23)24-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13,22H2/t18-,20-/m1/s1.
What are the key properties of trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate?
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 140639603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).