9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate

C30H43NO6Si — CID 101238864

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
SMILESCC1(C)OC[C@H](CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CO)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C30H43NO6Si/c1-29(2,3)38(6,7)36-18-21(17-32)31(16-22-19-35-30(4,5)37-22)28(33)34-20-27-25-14-10-8-12-23(25)24-13-9-11-15-26(24)27/h8-15,21-22,27,32H,16-20H2,1-7H3/t21-,22-/m0/s1
InChIKeyMLHTVPWUYYKZDM-VXKWHMMOSA-N
MW541.76 g/mol
LogP5.77
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate (PubChem CID 101238864) has the molecular formula C30H43NO6Si and a molecular weight of 541.76 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
PubChem CID101238864
Molecular FormulaC30H43NO6Si
Molecular Weight541.76 g/mol
Exact Mass541.29
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
SMILESCC1(C)OC[C@H](CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CO)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C30H43NO6Si/c1-29(2,3)38(6,7)36-18-21(17-32)31(16-22-19-35-30(4,5)37-22)28(33)34-20-27-25-14-10-8-12-23(25)24-13-9-11-15-26(24)27/h8-15,21-22,27,32H,16-20H2,1-7H3/t21-,22-/m0/s1
InChIKeyMLHTVPWUYYKZDM-VXKWHMMOSA-N
XLogP5.77
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.76
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate with MolForge

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Related Compounds

(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
CID 16743318
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 70506294
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
9H-fluoren-9-ylmethyl (3S)-3-acetyl-6,6-dimethyl-1,5,2-dioxazinane-2-carboxylate
CID 138965947
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxy-4-methylpentanoic acid
CID 106676038
(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CID 59669456
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
9H-fluoren-9-ylmethyl N-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]carbamate
CID 67617703
9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841936

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate (CID 101238864) is 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate is CC1(C)OC[C@H](CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CO)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The InChIKey is MLHTVPWUYYKZDM-VXKWHMMOSA-N. The full InChI is InChI=1S/C30H43NO6Si/c1-29(2,3)38(6,7)36-18-21(17-32)31(16-22-19-35-30(4,5)37-22)28(33)34-20-27-25-14-10-8-12-23(25)24-13-9-11-15-26(24)27/h8-15,21-22,27,32H,16-20H2,1-7H3/t21-,22-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate has a molecular weight of 541.76 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate is sourced from PubChem (CID 101238864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).