benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate

C25H30N2O5 — CID 158177775

IUPACbenzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(=O)[C@@H](NC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C25H30N2O5/c1-18(28)22(19(2)29)26-23(30)25(16-20-10-5-3-6-11-20)14-9-15-27(25)24(31)32-17-21-12-7-4-8-13-21/h3-8,10-13,18,22,28H,9,14-17H2,1-2H3,(H,26,30)/t18-,22+,25+/m1/s1
InChIKeyGBGZVWXJCREZCA-MOADCYBESA-N
MW438.52 g/mol
LogP2.86
Rot. Bonds8

About benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate

benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 158177775) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID158177775
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namebenzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(=O)[C@@H](NC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C25H30N2O5/c1-18(28)22(19(2)29)26-23(30)25(16-20-10-5-3-6-11-20)14-9-15-27(25)24(31)32-17-21-12-7-4-8-13-21/h3-8,10-13,18,22,28H,9,14-17H2,1-2H3,(H,26,30)/t18-,22+,25+/m1/s1
InChIKeyGBGZVWXJCREZCA-MOADCYBESA-N
XLogP2.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

benzyl 2-[(3-acetyloxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]-2-[(3-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 135309217
benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate
CID 53326611
[2-[[1-[1-(2-amino-3-hydroxybutanoyl)-2-benzylpyrrolidine-2-carbonyl]-2-benzylpyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]azanium
CID 152884202
tert-butyl 2-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123620552
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
benzyl 1-acetyl-2-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 46884615
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
CID 46884739
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
benzyl 2-benzyl-2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]azetidine-1-carboxylate
CID 53317488
N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-1-[(2S)-1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]-2-benzylpyrrolidine-2-carboxamide
CID 135309227
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 158177775) is benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate is CC(=O)[C@@H](NC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)OCc1ccccc1)[C@@H](C)O.
What is the InChIKey of benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is GBGZVWXJCREZCA-MOADCYBESA-N. The full InChI is InChI=1S/C25H30N2O5/c1-18(28)22(19(2)29)26-23(30)25(16-20-10-5-3-6-11-20)14-9-15-27(25)24(31)32-17-21-12-7-4-8-13-21/h3-8,10-13,18,22,28H,9,14-17H2,1-2H3,(H,26,30)/t18-,22+,25+/m1/s1.
What are the key properties of benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-benzyl-2-[[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 158177775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).