9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate

C21H24N2O3 — CID 124582995

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
SMILESNCCCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N2O3/c22-12-6-5-7-15(13-24)23-21(25)26-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,13,15,20H,5-7,12,14,22H2,(H,23,25)/t15-/m1/s1
InChIKeyYWNLUOQGSNHETA-OAHLLOKOSA-N
MW352.43 g/mol
LogP3.22
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate (PubChem CID 124582995) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
PubChem CID124582995
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
SMILESNCCCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N2O3/c22-12-6-5-7-15(13-24)23-21(25)26-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,13,15,20H,5-7,12,14,22H2,(H,23,25)/t15-/m1/s1
InChIKeyYWNLUOQGSNHETA-OAHLLOKOSA-N
XLogP3.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluoren-9-ylmethyl N-[(2S)-1-cyano-3-oxopropan-2-yl]carbamate
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tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
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[(6S)-10-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxodecan-4-yl] formate
CID 173235018
9H-fluoren-9-ylmethyl N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamate
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(2S)-6-amino-2-[deuterio(9H-fluoren-9-ylmethoxycarbonyl)amino]hexanoic acid
CID 175950732
9H-fluoren-9-ylmethyl N-(1-oxo-3-tritylsulfanylpropan-2-yl)carbamate
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9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate
CID 53230059
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-[(2S)-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
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9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-[4-(aminomethyl)anilino]-1-oxohexan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate (CID 124582995) is 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate is NCCCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate?
The InChIKey is YWNLUOQGSNHETA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O3/c22-12-6-5-7-15(13-24)23-21(25)26-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,13,15,20H,5-7,12,14,22H2,(H,23,25)/t15-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 124582995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).