N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C14H24N2O3 — CID 125448347

IUPACN-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1CCCC1=O)NCC[C@H]1CCOC1
InChIInChI=1S/C14H24N2O3/c17-13(15-7-5-12-6-10-19-11-12)3-1-8-16-9-2-4-14(16)18/h12H,1-11H2,(H,15,17)/t12-/m0/s1
InChIKeyWVHJTVRFTOZJRN-LBPRGKRZSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds7

About N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 125448347) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID125448347
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1CCCC1=O)NCC[C@H]1CCOC1
InChIInChI=1S/C14H24N2O3/c17-13(15-7-5-12-6-10-19-11-12)3-1-8-16-9-2-4-14(16)18/h12H,1-11H2,(H,15,17)/t12-/m0/s1
InChIKeyWVHJTVRFTOZJRN-LBPRGKRZSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 125448347) is N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is O=C(CCCN1CCCC1=O)NCC[C@H]1CCOC1.
What is the InChIKey of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is WVHJTVRFTOZJRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(15-7-5-12-6-10-19-11-12)3-1-8-16-9-2-4-14(16)18/h12H,1-11H2,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 268.36 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 125448347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).