9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate

C32H27N3O3 — CID 137302771

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate
SMILESCC(=[N+]=[N-])C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27N3O3/c1-21(35-33)31(36)30(29(22-12-4-2-5-13-22)23-14-6-3-7-15-23)34-32(37)38-20-28-26-18-10-8-16-24(26)25-17-9-11-19-27(25)28/h2-19,28-30H,20H2,1H3,(H,34,37)/t30-/m0/s1
InChIKeyGICNZXKLXPJYDB-PMERELPUSA-N
MW501.59 g/mol
LogP5.99
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate (PubChem CID 137302771) has the molecular formula C32H27N3O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate
PubChem CID137302771
Molecular FormulaC32H27N3O3
Molecular Weight501.59 g/mol
Exact Mass501.21
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate
SMILESCC(=[N+]=[N-])C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27N3O3/c1-21(35-33)31(36)30(29(22-12-4-2-5-13-22)23-14-6-3-7-15-23)34-32(37)38-20-28-26-18-10-8-16-24(26)25-17-9-11-19-27(25)28/h2-19,28-30H,20H2,1H3,(H,34,37)/t30-/m0/s1
InChIKeyGICNZXKLXPJYDB-PMERELPUSA-N
XLogP5.99
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', '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

methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoate
CID 75488026
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-3-sulfanylpropanoic acid
CID 135021468
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoate
CID 135024259
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate
CID 7010389
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxysulfanyloxybutanoic acid
CID 175695247
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate (CID 137302771) is 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate is CC(=[N+]=[N-])C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate?
The InChIKey is GICNZXKLXPJYDB-PMERELPUSA-N. The full InChI is InChI=1S/C32H27N3O3/c1-21(35-33)31(36)30(29(22-12-4-2-5-13-22)23-14-6-3-7-15-23)34-32(37)38-20-28-26-18-10-8-16-24(26)25-17-9-11-19-27(25)28/h2-19,28-30H,20H2,1H3,(H,34,37)/t30-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate has a molecular weight of 501.59 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-4-diazo-3-oxo-1,1-diphenylpentan-2-yl]carbamate is sourced from PubChem (CID 137302771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).