N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

C12H22N2O3 — CID 55076215

IUPACN-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCCC1CCCO
InChIInChI=1S/C12H22N2O3/c1-9(13-10(2)16)12(17)14-7-3-5-11(14)6-4-8-15/h9,11,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyQHFKWSRBZJGNTI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.27
Rot. Bonds5

About N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 55076215) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID55076215
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)N1CCCC1CCCO
InChIInChI=1S/C12H22N2O3/c1-9(13-10(2)16)12(17)14-7-3-5-11(14)6-4-8-15/h9,11,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyQHFKWSRBZJGNTI-UHFFFAOYSA-N
XLogP0.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 66261585
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one
CID 62480817
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
(2S,3R)-3-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966198
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 62469124
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 114005601

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 55076215) is N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)N1CCCC1CCCO.
What is the InChIKey of N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is QHFKWSRBZJGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(13-10(2)16)12(17)14-7-3-5-11(14)6-4-8-15/h9,11,15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 55076215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).