9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate

C25H32N2O5 — CID 21053930

IUPAC9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate
SMILESC[C@H](O)[C@H](CO)NC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32N2O5/c1-17(29)23(15-28)27-24(30)13-3-2-8-14-26-25(31)32-16-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h4-7,9-12,17,22-23,28-29H,2-3,8,13-16H2,1H3,(H,26,31)(H,27,30)/t17-,23-/m0/s1
InChIKeyRIXVSBXFAAUELG-SBUREZEXSA-N
MW440.54 g/mol
LogP2.94
Rot. Bonds11

About 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate

9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate (PubChem CID 21053930) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate
PubChem CID21053930
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate
SMILESC[C@H](O)[C@H](CO)NC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32N2O5/c1-17(29)23(15-28)27-24(30)13-3-2-8-14-26-25(31)32-16-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h4-7,9-12,17,22-23,28-29H,2-3,8,13-16H2,1H3,(H,26,31)(H,27,30)/t17-,23-/m0/s1
InChIKeyRIXVSBXFAAUELG-SBUREZEXSA-N
XLogP2.94
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate with MolForge

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Related Compounds

(3R)-3-[7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]butanoic acid
CID 165498296
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]hexanoic acid
CID 121333096
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(pentadecanoylamino)butanoic acid
CID 169217785
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate (CID 21053930) is 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate is C[C@H](O)[C@H](CO)NC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate?
The InChIKey is RIXVSBXFAAUELG-SBUREZEXSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-17(29)23(15-28)27-24(30)13-3-2-8-14-26-25(31)32-16-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h4-7,9-12,17,22-23,28-29H,2-3,8,13-16H2,1H3,(H,26,31)(H,27,30)/t17-,23-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate?
9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 2.94, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate is sourced from PubChem (CID 21053930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).