(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid

C14H15NO6 — CID 18391508

IUPAC(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H15NO6/c16-12(17)10-6-11(13(18)19)15(7-10)14(20)21-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyIFFOHBSVMSYNMX-WDEREUQCSA-N
MW293.27 g/mol
LogP1.18
Rot. Bonds4

About (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid

(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid (PubChem CID 18391508) has the molecular formula C14H15NO6 and a molecular weight of 293.27 g/mol. Its IUPAC name is (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
PubChem CID18391508
Molecular FormulaC14H15NO6
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H15NO6/c16-12(17)10-6-11(13(18)19)15(7-10)14(20)21-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1
InChIKeyIFFOHBSVMSYNMX-WDEREUQCSA-N
XLogP1.18
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 102278836
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
(2S,4S)-1-phenylmethoxycarbonyl-4-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 70469193
(3R,5S)-5-(methylamino)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 118495982
(2S,4R)-1-phenylmethoxycarbonyl-4-propylpyrrolidine-2-carboxylic acid
CID 22802136
(2R,4S)-4-acetyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 18391514
(2S,4S)-4-amino-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146013325
1-O-benzyl 2-O,4-O-ditert-butyl (2S,4S)-pyrrolidine-1,2,4-tricarboxylate
CID 172621004
cyclohexanamine;4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 126475877
(2S)-4-(1,3-dioxoisoindol-2-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70468975
(2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70551253
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid (CID 18391508) is (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid is O=C(O)[C@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid?
The InChIKey is IFFOHBSVMSYNMX-WDEREUQCSA-N. The full InChI is InChI=1S/C14H15NO6/c16-12(17)10-6-11(13(18)19)15(7-10)14(20)21-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)(H,18,19)/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid?
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 18391508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).