2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide

C9H19N3O2 — CID 106617908

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C9H19N3O2/c10-9(14)7-12(4-5-13)6-8-2-1-3-11-8/h8,11,13H,1-7H2,(H2,10,14)
InChIKeyPREAHEFLLDTNQF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.48
Rot. Bonds6

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106617908) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106617908
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C9H19N3O2/c10-9(14)7-12(4-5-13)6-8-2-1-3-11-8/h8,11,13H,1-7H2,(H2,10,14)
InChIKeyPREAHEFLLDTNQF-UHFFFAOYSA-N
XLogP-1.48
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106617908) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide is NC(=O)CN(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is PREAHEFLLDTNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(14)7-12(4-5-13)6-8-2-1-3-11-8/h8,11,13H,1-7H2,(H2,10,14).
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 201.27 g/mol, XLogP of -1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106617908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).