9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate

C24H27N3O4 — CID 90858422

IUPAC9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate
SMILES[2H]CC(C)(C)O[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-]
InChIInChI=1S/C24H27N3O4/c1-15(31-24(2,3)4)22(21(28)13-26-25)27-23(29)30-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-13,15,20,22H,14H2,1-4H3,(H,27,29)/t15-,22+/m0/s1/i2D
InChIKeyGTTRJLULTVJSTQ-NNYCQKAOSA-N
MW422.50 g/mol
LogP3.97
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate

9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate (PubChem CID 90858422) has the molecular formula C24H27N3O4 and a molecular weight of 422.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate
PubChem CID90858422
Molecular FormulaC24H27N3O4
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate
SMILES[2H]CC(C)(C)O[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-]
InChIInChI=1S/C24H27N3O4/c1-15(31-24(2,3)4)22(21(28)13-26-25)27-23(29)30-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-13,15,20,22H,14H2,1-4H3,(H,27,29)/t15-,22+/m0/s1/i2D
InChIKeyGTTRJLULTVJSTQ-NNYCQKAOSA-N
XLogP3.97
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxybutanoic acid
CID 53394879
tert-butyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 11773868
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoate
CID 135024259
tert-butyl N-[(3S)-1-diazo-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxohexan-3-yl]carbamate
CID 170915432
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-[[4-(methylamino)-4-oxobutyl]sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 121446594
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2S,3R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 175802938
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 170899056
tert-butyl (2R,3R)-2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoate
CID 135034150
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 69328330
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate (CID 90858422) is 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate is [2H]CC(C)(C)O[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-].
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate?
The InChIKey is GTTRJLULTVJSTQ-NNYCQKAOSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(31-24(2,3)4)22(21(28)13-26-25)27-23(29)30-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-13,15,20,22H,14H2,1-4H3,(H,27,29)/t15-,22+/m0/s1/i2D.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate has a molecular weight of 422.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(3R,4S)-4-(1-deuterio-2-methylpropan-2-yl)oxy-1-diazo-2-oxopentan-3-yl]carbamate is sourced from PubChem (CID 90858422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).