benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate

C17H23NO5 — CID 58610455

IUPACbenzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)[C@H](O)[C@@]1(C(=O)OCc2ccccc2)NC(=O)[C@H](C)[C@@H]1O
InChIInChI=1S/C17H23NO5/c1-10(2)13(19)17(14(20)11(3)15(21)18-17)16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13-14,19-20H,9H2,1-3H3,(H,18,21)/t11-,13+,14+,17-/m1/s1
InChIKeyLDRLURHNNVPVCN-LRCAOYNASA-N
MW321.37 g/mol
LogP0.61
Rot. Bonds5

About benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate

benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 58610455) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID58610455
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namebenzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)[C@H](O)[C@@]1(C(=O)OCc2ccccc2)NC(=O)[C@H](C)[C@@H]1O
InChIInChI=1S/C17H23NO5/c1-10(2)13(19)17(14(20)11(3)15(21)18-17)16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13-14,19-20H,9H2,1-3H3,(H,18,21)/t11-,13+,14+,17-/m1/s1
InChIKeyLDRLURHNNVPVCN-LRCAOYNASA-N
XLogP0.61
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate (CID 58610455) is benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate is CC(C)[C@H](O)[C@@]1(C(=O)OCc2ccccc2)NC(=O)[C@H](C)[C@@H]1O.
What is the InChIKey of benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is LDRLURHNNVPVCN-LRCAOYNASA-N. The full InChI is InChI=1S/C17H23NO5/c1-10(2)13(19)17(14(20)11(3)15(21)18-17)16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13-14,19-20H,9H2,1-3H3,(H,18,21)/t11-,13+,14+,17-/m1/s1.
What are the key properties of benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate?
benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 58610455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).