9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate

C25H32N2O8 — CID 11016417

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H32N2O8/c1-14(24(33)27(2)11-20(29)22(31)23(32)21(30)12-28)26-25(34)35-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-23,28-32H,11-13H2,1-2H3,(H,26,34)/t14-,20-,21+,22+,23+/m0/s1
InChIKeyUGWOIJNKAXGRAH-AHILNLLBSA-N
MW488.54 g/mol
LogP-0.19
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 11016417) has the molecular formula C25H32N2O8 and a molecular weight of 488.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID11016417
Molecular FormulaC25H32N2O8
Molecular Weight488.54 g/mol
Exact Mass488.22
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H32N2O8/c1-14(24(33)27(2)11-20(29)22(31)23(32)21(30)12-28)26-25(34)35-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-23,28-32H,11-13H2,1-2H3,(H,26,34)/t14-,20-,21+,22+,23+/m0/s1
InChIKeyUGWOIJNKAXGRAH-AHILNLLBSA-N
XLogP-0.19
TPSA159.79 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 5-0.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 15549270
(2S,5R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,4,5,6-tetrahydroxyhexanoic acid
CID 121402913
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]-methylamino]-2-methylpropanoic acid
CID 165478850
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
9H-fluoren-9-ylmethyl N-[1-oxo-1-[[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]amino]propan-2-yl]carbamate
CID 58937812
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
CID 4712559
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate (CID 11016417) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is UGWOIJNKAXGRAH-AHILNLLBSA-N. The full InChI is InChI=1S/C25H32N2O8/c1-14(24(33)27(2)11-20(29)22(31)23(32)21(30)12-28)26-25(34)35-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-23,28-32H,11-13H2,1-2H3,(H,26,34)/t14-,20-,21+,22+,23+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 488.54 g/mol, XLogP of -0.19, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11016417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).