(2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C25H27NO6 — CID 175363741

IUPAC(2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H]1C[C@H](C(=O)O)N(C(=O)OCc2cccc3c2Cc2ccccc2-3)C1
InChIInChI=1S/C25H27NO6/c1-25(2,3)32-23(29)17-12-21(22(27)28)26(13-17)24(30)31-14-16-8-6-10-19-18-9-5-4-7-15(18)11-20(16)19/h4-10,17,21H,11-14H2,1-3H3,(H,27,28)/t17-,21+/m0/s1
InChIKeyGKGDFICERMRMNV-LAUBAEHRSA-N
MW437.49 g/mol
LogP4.01
Rot. Bonds4

About (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 175363741) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID175363741
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name(2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H]1C[C@H](C(=O)O)N(C(=O)OCc2cccc3c2Cc2ccccc2-3)C1
InChIInChI=1S/C25H27NO6/c1-25(2,3)32-23(29)17-12-21(22(27)28)26(13-17)24(30)31-14-16-8-6-10-19-18-9-5-4-7-15(18)11-20(16)19/h4-10,17,21H,11-14H2,1-3H3,(H,27,28)/t17-,21+/m0/s1
InChIKeyGKGDFICERMRMNV-LAUBAEHRSA-N
XLogP4.01
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-benzyl 2-O,4-O-ditert-butyl (2S,4S)-pyrrolidine-1,2,4-tricarboxylate
CID 172621004
9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
CID 70186299
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
(2S,4R)-4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 170539704
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]propanoic acid
CID 23506292
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
3-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-4-carboxylic acid
CID 17040140
(2S,4S)-4-[1-(3-carboxyphenyl)ethenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 144771164
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-2-carboxylic acid
CID 134224493

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 175363741) is (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)[C@H]1C[C@H](C(=O)O)N(C(=O)OCc2cccc3c2Cc2ccccc2-3)C1.
What is the InChIKey of (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GKGDFICERMRMNV-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H27NO6/c1-25(2,3)32-23(29)17-12-21(22(27)28)26(13-17)24(30)31-14-16-8-6-10-19-18-9-5-4-7-15(18)11-20(16)19/h4-10,17,21H,11-14H2,1-3H3,(H,27,28)/t17-,21+/m0/s1.
What are the key properties of (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 437.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).