(4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one

C14H24N4O2 — CID 164637577

IUPAC(4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@@H](NCc2nccn2CCOC)CC1=O
InChIInChI=1S/C14H24N4O2/c1-3-5-18-11-12(9-14(18)19)16-10-13-15-4-6-17(13)7-8-20-2/h4,6,12,16H,3,5,7-11H2,1-2H3/t12-/m0/s1
InChIKeyLWRZNDHPAUVZJB-LBPRGKRZSA-N
MW280.37 g/mol
LogP0.63
Rot. Bonds8

About (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one

(4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one (PubChem CID 164637577) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one
PubChem CID164637577
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@@H](NCc2nccn2CCOC)CC1=O
InChIInChI=1S/C14H24N4O2/c1-3-5-18-11-12(9-14(18)19)16-10-13-15-4-6-17(13)7-8-20-2/h4,6,12,16H,3,5,7-11H2,1-2H3/t12-/m0/s1
InChIKeyLWRZNDHPAUVZJB-LBPRGKRZSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one (CID 164637577) is (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one is CCCN1C[C@@H](NCc2nccn2CCOC)CC1=O.
What is the InChIKey of (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one?
The InChIKey is LWRZNDHPAUVZJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-18-11-12(9-14(18)19)16-10-13-15-4-6-17(13)7-8-20-2/h4,6,12,16H,3,5,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one?
(4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one has a molecular weight of 280.37 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methylamino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 164637577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).