2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one

C10H20N2O2 — CID 43389372

IUPAC2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(O)CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2/c1-8(13)7-11-9(2)10(14)12-5-3-4-6-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyIUQXCOMXPPYHCG-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds4

About 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43389372) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43389372
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(O)CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2/c1-8(13)7-11-9(2)10(14)12-5-3-4-6-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyIUQXCOMXPPYHCG-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106990428
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 103520472
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982
3,3,3-trifluoro-2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]propanenitrile
CID 103367515
(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 138016410
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43389372) is 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(O)CNC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IUQXCOMXPPYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)7-11-9(2)10(14)12-5-3-4-6-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43389372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).