[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium

C16H17N2O+ — CID 2220327

IUPAC[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H16N2O/c1-10(17)16(19)18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9-10H,8,17H2,1H3,(H,18,19)/p+1/t10-/m0/s1
InChIKeyCITBTXVQVHJQMK-JTQLQIEISA-O
MW253.33 g/mol
LogP1.83
Rot. Bonds2

About [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium

[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 2220327) has the molecular formula C16H17N2O+ and a molecular weight of 253.33 g/mol. Its IUPAC name is [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID2220327
Molecular FormulaC16H17N2O+
Molecular Weight253.33 g/mol
Exact Mass253.13
IUPAC Name[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H16N2O/c1-10(17)16(19)18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9-10H,8,17H2,1H3,(H,18,19)/p+1/t10-/m0/s1
InChIKeyCITBTXVQVHJQMK-JTQLQIEISA-O
XLogP1.83
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 24637004
(2R)-N-carbamoyl-2-(9H-fluoren-2-ylamino)propanamide
CID 40954214
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101290
1-(9H-fluoren-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75418599
N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
CID 51154962
2-(4-acetamidophenyl)-N-(9H-fluoren-2-yl)acetamide
CID 30755196
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 91649259
1-(2-ethyl-2-hydroxybutyl)-3-(9H-fluoren-2-yl)urea
CID 51131990

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium (CID 2220327) is [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium is C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is CITBTXVQVHJQMK-JTQLQIEISA-O. The full InChI is InChI=1S/C16H16N2O/c1-10(17)16(19)18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9-10H,8,17H2,1H3,(H,18,19)/p+1/t10-/m0/s1.
What are the key properties of [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium?
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 253.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 2220327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).