tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate

C27H32N2O4 — CID 167437749

IUPACtert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1CNC1(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H32N2O4/c1-26(2,3)33-25(31)29-15-12-18(29)16-28-27(13-14-27)24(30)32-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23,28H,12-17H2,1-3H3
InChIKeyWZZBUCTZYKVKLA-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.47
Rot. Bonds6

About tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate

tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate (PubChem CID 167437749) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate
PubChem CID167437749
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Nametert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1CNC1(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H32N2O4/c1-26(2,3)33-25(31)29-15-12-18(29)16-28-27(13-14-27)24(30)32-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23,28H,12-17H2,1-3H3
InChIKeyWZZBUCTZYKVKLA-UHFFFAOYSA-N
XLogP4.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate with MolForge

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Related Compounds

4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid
CID 2756149
tert-butyl (2R)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 163320962
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 15922345
tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 178118773
8-(9H-fluoren-9-ylmethoxycarbonyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 154776246
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 1268233
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 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 172915787

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate (CID 167437749) is tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1CNC1(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate?
The InChIKey is WZZBUCTZYKVKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-26(2,3)33-25(31)29-15-12-18(29)16-28-27(13-14-27)24(30)32-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23,28H,12-17H2,1-3H3.
What are the key properties of tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate?
tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate has a molecular weight of 448.56 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 167437749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).