(5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one

C18H27NO3 — CID 59336239

IUPAC(5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
SMILESCC(C)[C@@H](COCc1ccccc1)C[C@H](O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C18H27NO3/c1-13(2)15(10-17(20)16-8-9-18(21)19-16)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,19,21)/t15-,16+,17+/m1/s1
InChIKeyFUYZYQMHSRSXDK-IKGGRYGDSA-N
MW305.42 g/mol
LogP2.51
Rot. Bonds8

About (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one

(5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one (PubChem CID 59336239) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
PubChem CID59336239
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one
SMILESCC(C)[C@@H](COCc1ccccc1)C[C@H](O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C18H27NO3/c1-13(2)15(10-17(20)16-8-9-18(21)19-16)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,19,21)/t15-,16+,17+/m1/s1
InChIKeyFUYZYQMHSRSXDK-IKGGRYGDSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one (CID 59336239) is (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one is CC(C)[C@@H](COCc1ccccc1)C[C@H](O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
The InChIKey is FUYZYQMHSRSXDK-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)15(10-17(20)16-8-9-18(21)19-16)12-22-11-14-6-4-3-5-7-14/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,19,21)/t15-,16+,17+/m1/s1.
What are the key properties of (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one?
(5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one has a molecular weight of 305.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]pyrrolidin-2-one is sourced from PubChem (CID 59336239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).