N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide

C11H20N2O3 — CID 136518328

IUPACN-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCCC1CN(C(=O)C(C)NC(C)=O)CC1O
InChIInChI=1S/C11H20N2O3/c1-4-9-5-13(6-10(9)15)11(16)7(2)12-8(3)14/h7,9-10,15H,4-6H2,1-3H3,(H,12,14)
InChIKeyCAEVQRZRKRYLMB-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds3

About N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide

N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 136518328) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID136518328
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCCC1CN(C(=O)C(C)NC(C)=O)CC1O
InChIInChI=1S/C11H20N2O3/c1-4-9-5-13(6-10(9)15)11(16)7(2)12-8(3)14/h7,9-10,15H,4-6H2,1-3H3,(H,12,14)
InChIKeyCAEVQRZRKRYLMB-UHFFFAOYSA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide (CID 136518328) is N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide is CCC1CN(C(=O)C(C)NC(C)=O)CC1O.
What is the InChIKey of N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is CAEVQRZRKRYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-9-5-13(6-10(9)15)11(16)7(2)12-8(3)14/h7,9-10,15H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide?
N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 228.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 136518328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).