(4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H31N3O4 — CID 30921898

IUPAC(4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-14(2)16-13-26-19(25)22(16)12-18(24)21-10-6-15(7-11-21)5-9-20-8-3-4-17(20)23/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyZRSTYKXSLOHAIG-MRXNPFEDSA-N
MW365.47 g/mol
LogP1.71
Rot. Bonds6

About (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 30921898) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID30921898
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name(4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-14(2)16-13-26-19(25)22(16)12-18(24)21-10-6-15(7-11-21)5-9-20-8-3-4-17(20)23/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyZRSTYKXSLOHAIG-MRXNPFEDSA-N
XLogP1.71
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 30921898) is (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(CCN2CCCC2=O)CC1.
What is the InChIKey of (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZRSTYKXSLOHAIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-14(2)16-13-26-19(25)22(16)12-18(24)21-10-6-15(7-11-21)5-9-20-8-3-4-17(20)23/h14-16H,3-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 365.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 30921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).