(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid

C20H21NO4 — CID 156766680

IUPAC(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@H]1C[C@H](Cc2ccccc2)CN1C(=O)O
InChIInChI=1S/C20H21NO4/c22-19(25-14-16-9-5-2-6-10-16)18-12-17(13-21(18)20(23)24)11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,24)/t17-,18+/m0/s1
InChIKeyGXEUKDGLIJKVMI-ZWKOTPCHSA-N
MW339.39 g/mol
LogP3.34
Rot. Bonds5

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

(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid (PubChem CID 156766680) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
PubChem CID156766680
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@H]1C[C@H](Cc2ccccc2)CN1C(=O)O
InChIInChI=1S/C20H21NO4/c22-19(25-14-16-9-5-2-6-10-16)18-12-17(13-21(18)20(23)24)11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,24)/t17-,18+/m0/s1
InChIKeyGXEUKDGLIJKVMI-ZWKOTPCHSA-N
XLogP3.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-aminooxy-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 66870327
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512
2-O-benzyl 1-O-tert-butyl (2S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 163224854
4-benzyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70895994
2-O-benzyl 1-O-tert-butyl (2S,4S)-4-(fluoromethyl)pyrrolidine-1,2-dicarboxylate
CID 163225322
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
2-(5-methoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
CID 118995022
(2S,4R)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 66871293
(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid
CID 174236608
dibenzyl 1-benzylazetidine-2,4-dicarboxylate
CID 14654391
benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 4857905
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-(3-phenylprop-2-enyl)pyrrolidine-1,2-dicarboxylate
CID 91542059

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid (CID 156766680) is (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid is O=C(OCc1ccccc1)[C@H]1C[C@H](Cc2ccccc2)CN1C(=O)O.
What is the InChIKey of (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
The InChIKey is GXEUKDGLIJKVMI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19(25-14-16-9-5-2-6-10-16)18-12-17(13-21(18)20(23)24)11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,24)/t17-,18+/m0/s1.
What are the key properties of (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid?
(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 156766680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).