tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate

C29H34N2O5 — CID 170541323

IUPACtert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(C(C=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)C2)C1
InChIInChI=1S/C29H34N2O5/c1-28(2,3)36-27(34)31-17-29(18-31)12-19(13-29)20(15-32)14-30-26(33)35-16-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-11,15,19-20,25H,12-14,16-18H2,1-3H3,(H,30,33)
InChIKeyBSIDLAFRVVQRAM-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.99
Rot. Bonds6

About tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 170541323) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID170541323
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Nametert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(C(C=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)C2)C1
InChIInChI=1S/C29H34N2O5/c1-28(2,3)36-27(34)31-17-29(18-31)12-19(13-29)20(15-32)14-30-26(33)35-16-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-11,15,19-20,25H,12-14,16-18H2,1-3H3,(H,30,33)
InChIKeyBSIDLAFRVVQRAM-UHFFFAOYSA-N
XLogP4.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptan-6-yl]oxy]propanoic acid
CID 162512565
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptan-1-yl]propanoic acid
CID 167742192
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 24729673
2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 172915787
tert-butyl 3-(aminomethyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 155892700
(3S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122173621
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 23397551
8-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 71305275
(2R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 102385880
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate (CID 170541323) is tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC(C(C=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)C2)C1.
What is the InChIKey of tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is BSIDLAFRVVQRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-28(2,3)36-27(34)31-17-29(18-31)12-19(13-29)20(15-32)14-30-26(33)35-16-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-11,15,19-20,25H,12-14,16-18H2,1-3H3,(H,30,33).
What are the key properties of tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropan-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 170541323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).