tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate

C27H34N2O5 — CID 178118773

IUPACtert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@H]1[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C27H34N2O5/c1-27(2,3)34-26(31)29-14-13-18(24(29)17-32-4)15-28-25(30)33-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23-24H,13-17H2,1-4H3,(H,28,30)/t18-,24+/m0/s1
InChIKeyMZGZGWAMSLEMMO-MHECFPHRSA-N
MW466.58 g/mol
LogP4.80
Rot. Bonds6

About tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 178118773) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID178118773
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Nametert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@H]1[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C27H34N2O5/c1-27(2,3)34-26(31)29-14-13-18(24(29)17-32-4)15-28-25(30)33-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23-24H,13-17H2,1-4H3,(H,28,30)/t18-,24+/m0/s1
InChIKeyMZGZGWAMSLEMMO-MHECFPHRSA-N
XLogP4.80
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate with MolForge

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Related Compounds

(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 15922345
tert-butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate
CID 134358039
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
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid
CID 2756149
tert-butyl 2-[[[1-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropyl]amino]methyl]azetidine-1-carboxylate
CID 167437749
tert-butyl (2R)-2-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 163320962
(2S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
CID 25418866
(2S,4R)-4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 98041208
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
tert-butyl 3-(aminomethyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 155892700
9H-fluoren-9-ylmethyl (5R)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]diazinane-1-carboxylate
CID 163203435

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 178118773) is tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate is COC[C@@H]1[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is MZGZGWAMSLEMMO-MHECFPHRSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-27(2,3)34-26(31)29-14-13-18(24(29)17-32-4)15-28-25(30)33-16-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23-24H,13-17H2,1-4H3,(H,28,30)/t18-,24+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 466.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 178118773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).