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

C21H22N2O — CID 132962052

IUPAC(1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O/c22-21(24)18-12-9-10-13(11-12)19(18)23-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-8,12-13,18-20,23H,9-11H2,(H2,22,24)/t12-,13-,18-,19+/m0/s1
InChIKeyYMXWXCIXEVAVNC-BIPCEHGGSA-N
MW318.42 g/mol
LogP3.25
Rot. Bonds3

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

(1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 132962052) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID132962052
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O/c22-21(24)18-12-9-10-13(11-12)19(18)23-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-8,12-13,18-20,23H,9-11H2,(H2,22,24)/t12-,13-,18-,19+/m0/s1
InChIKeyYMXWXCIXEVAVNC-BIPCEHGGSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

methyl (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxylate
CID 132962053
3-(2,3-dihydro-1H-inden-1-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069260
(1S,2R,3S,4S)-3-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 129425010
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397
N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 154749020
3-(3,4-dihydro-2H-thiochromen-4-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069744
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
(1R,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 10910202
methyl (1R,2R,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylate
CID 14331165
benzyl (1S,2R,3S,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860303
benzyl (1S,2S,3S,4S)-3-[(4-methoxycyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124860302
N-(9H-fluoren-9-yl)thiolan-3-amine
CID 103603285

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide (CID 132962052) is (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide is NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC1c2ccccc2-c2ccccc21.
What is the InChIKey of (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YMXWXCIXEVAVNC-BIPCEHGGSA-N. The full InChI is InChI=1S/C21H22N2O/c22-21(24)18-12-9-10-13(11-12)19(18)23-20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20/h1-8,12-13,18-20,23H,9-11H2,(H2,22,24)/t12-,13-,18-,19+/m0/s1.
What are the key properties of (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 132962052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).