N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide

C11H20N2O3 — CID 112627417

IUPACN-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(14)10-4-6-13(7-10)11(16)3-5-12-9(2)15/h8,10,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyILULZNDIGFZUMB-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds4

About N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide

N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 112627417) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
PubChem CID112627417
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(14)10-4-6-13(7-10)11(16)3-5-12-9(2)15/h8,10,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyILULZNDIGFZUMB-UHFFFAOYSA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide
CID 115966177
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
CID 63107332
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide (CID 112627417) is N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCC(C(C)O)C1.
What is the InChIKey of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is ILULZNDIGFZUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(14)10-4-6-13(7-10)11(16)3-5-12-9(2)15/h8,10,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 228.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 112627417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).