(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C25H28N2O6 — CID 15922345

IUPAC(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O
InChIInChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-20(21(27)22(28)29)26-23(30)32-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t20-,21-/m1/s1
InChIKeyJFLIEUQNMSCCTP-NHCUHLMSSA-N
MW452.51 g/mol
LogP3.99
Rot. Bonds4

About (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 15922345) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID15922345
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O
InChIInChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-20(21(27)22(28)29)26-23(30)32-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t20-,21-/m1/s1
InChIKeyJFLIEUQNMSCCTP-NHCUHLMSSA-N
XLogP3.99
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 23397551
tert-butyl 3-(aminomethyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 155892700
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-2-carboxylic acid
CID 2756149
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
(2S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate
CID 25418866
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
tert-butyl 2-(2-diazoacetyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 91185416
tert-butyl (2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 178118773
(2R,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 102385880
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azetidine-2-carboxylic acid
CID 163143213
1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 165485702
(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidine-2-carboxylic acid
CID 171558951

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 15922345) is (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O.
What is the InChIKey of (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JFLIEUQNMSCCTP-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-20(21(27)22(28)29)26-23(30)32-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t20-,21-/m1/s1.
What are the key properties of (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 452.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15922345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).