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

C9H17N3O3 — CID 103532871

IUPAC2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide
SMILESCOC1CCN(C(=O)CNC(=O)CN)C1
InChIInChI=1S/C9H17N3O3/c1-15-7-2-3-12(6-7)9(14)5-11-8(13)4-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyLKXULBPTMOMKLP-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.69
Rot. Bonds4

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

2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 103532871) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide
PubChem CID103532871
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide
SMILESCOC1CCN(C(=O)CNC(=O)CN)C1
InChIInChI=1S/C9H17N3O3/c1-15-7-2-3-12(6-7)9(14)5-11-8(13)4-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyLKXULBPTMOMKLP-UHFFFAOYSA-N
XLogP-1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide (CID 103532871) is 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide is COC1CCN(C(=O)CNC(=O)CN)C1.
What is the InChIKey of 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is LKXULBPTMOMKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-15-7-2-3-12(6-7)9(14)5-11-8(13)4-10/h7H,2-6,10H2,1H3,(H,11,13).
What are the key properties of 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide?
2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 215.25 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 103532871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).