N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide

C8H14N2O3 — CID 62917262

IUPACN-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-4-8(13)10-3-2-7(12)5-10/h7,12H,2-5H2,1H3,(H,9,11)
InChIKeyIPOMKKHSAZFLIG-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.28
Rot. Bonds2

About N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide

N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 62917262) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
PubChem CID62917262
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)9-4-8(13)10-3-2-7(12)5-10/h7,12H,2-5H2,1H3,(H,9,11)
InChIKeyIPOMKKHSAZFLIG-UHFFFAOYSA-N
XLogP-1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide (CID 62917262) is N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(O)C1.
What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is IPOMKKHSAZFLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9-4-8(13)10-3-2-7(12)5-10/h7,12H,2-5H2,1H3,(H,9,11).
What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 186.21 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 62917262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).