2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C13H26N2O4 — CID 106990428

IUPAC2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCOCC(O)CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O4/c1-11(13(17)15-5-3-4-6-15)14-9-12(16)10-19-8-7-18-2/h11-12,14,16H,3-10H2,1-2H3
InChIKeyAVUMZWFYSMBHTQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.39
Rot. Bonds9

About 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one

2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 106990428) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID106990428
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCOCC(O)CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O4/c1-11(13(17)15-5-3-4-6-15)14-9-12(16)10-19-8-7-18-2/h11-12,14,16H,3-10H2,1-2H3
InChIKeyAVUMZWFYSMBHTQ-UHFFFAOYSA-N
XLogP-0.39
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711
3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile
CID 103367515
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 106990428) is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one is COCCOCC(O)CNC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AVUMZWFYSMBHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(13(17)15-5-3-4-6-15)14-9-12(16)10-19-8-7-18-2/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of -0.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 106990428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).