(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid

C29H36N2O4 — CID 140994321

IUPAC(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C(CC[C@H](Cc1ccccc1)C(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C29H36N2O4/c32-27(30-17-7-8-18-30)24(20-22-10-3-1-4-11-22)15-16-25(21-23-12-5-2-6-13-23)28(33)31-19-9-14-26(31)29(34)35/h1-6,10-13,24-26H,7-9,14-21H2,(H,34,35)/t24-,25?,26-/m1/s1
InChIKeyRQYCUPHALANAQM-NCKFGJJNSA-N
MW476.62 g/mol
LogP4.18
Rot. Bonds10

About (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 140994321) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid
PubChem CID140994321
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC Name(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C(CC[C@H](Cc1ccccc1)C(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C29H36N2O4/c32-27(30-17-7-8-18-30)24(20-22-10-3-1-4-11-22)15-16-25(21-23-12-5-2-6-13-23)28(33)31-19-9-14-26(31)29(34)35/h1-6,10-13,24-26H,7-9,14-21H2,(H,34,35)/t24-,25?,26-/m1/s1
InChIKeyRQYCUPHALANAQM-NCKFGJJNSA-N
XLogP4.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[(2R)-2-benzyl-4-[1-(carboxymethyl)cyclopentyl]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 146697733
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
(2S)-1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-2-carboxylic acid
CID 104984557
dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride
CID 173406469
(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
(2S)-1-[(2S)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoyl]pyrrolidine-2-carboxylic acid
CID 149437590
1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 67652168
(2R)-1-[(2R)-2-[[(2R)-2-hydroxy-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 51694121
(2S)-1-(5-amino-2-methyl-4-oxo-6-phenylhexanoyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 70520069
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
(2S)-1-[(2R)-2-(benzylsulfonylmethyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 162046708

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid (CID 140994321) is (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)C(CC[C@H](Cc1ccccc1)C(=O)N1CCCC1)Cc1ccccc1.
What is the InChIKey of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RQYCUPHALANAQM-NCKFGJJNSA-N. The full InChI is InChI=1S/C29H36N2O4/c32-27(30-17-7-8-18-30)24(20-22-10-3-1-4-11-22)15-16-25(21-23-12-5-2-6-13-23)28(33)31-19-9-14-26(31)29(34)35/h1-6,10-13,24-26H,7-9,14-21H2,(H,34,35)/t24-,25?,26-/m1/s1.
What are the key properties of (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 476.62 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140994321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).