methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate

C22H23NO2 — CID 132962053

IUPACmethyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO2/c1-25-22(24)19-13-10-11-14(12-13)20(19)23-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,13-14,19-21,23H,10-12H2,1H3/t13-,14-,19-,20+/m0/s1
InChIKeyUGFJXRLKOGVORT-WZBLMQSHSA-N
MW333.43 g/mol
LogP3.93
Rot. Bonds3

About methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate

methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 132962053) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID132962053
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Namemethyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO2/c1-25-22(24)19-13-10-11-14(12-13)20(19)23-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,13-14,19-21,23H,10-12H2,1H3/t13-,14-,19-,20+/m0/s1
InChIKeyUGFJXRLKOGVORT-WZBLMQSHSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

(1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide
CID 132962052
methyl 3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-2-carboxylate
CID 54337610
methyl (1R,2S,3S,4S)-3-triphenylstannylbicyclo[2.2.1]heptane-2-carboxylate
CID 10815341
methyl (1S,2S,3S,4S)-3-[(2-methoxyphenyl)sulfonylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98177791
methyl (1S,2R,3R,4S)-3-[(2,6-difluorobenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 129426383
benzyl (1S,2R,3R,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860304
benzyl (1S,2S,3S,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860302
benzyl (1S,2R,3S,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860303
methyl (1S,2R,3R,4S)-3-[(1-methylpyrrole-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124790214
3-(2,3-dihydro-1H-inden-1-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069260
methyl (1S,2R,3S,4S)-3-[(5-chlorofuran-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98357954
methyl (1S,2S,3S,4S)-3-[[2-(2H-indazol-3-yl)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98357525

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate (CID 132962053) is methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate is COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is UGFJXRLKOGVORT-WZBLMQSHSA-N. The full InChI is InChI=1S/C22H23NO2/c1-25-22(24)19-13-10-11-14(12-13)20(19)23-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,13-14,19-21,23H,10-12H2,1H3/t13-,14-,19-,20+/m0/s1.
What are the key properties of methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate?
methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 132962053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).