2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone

C6H12N2O2 — CID 22556964

IUPAC2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESNCC(=O)N1CCC(O)C1
InChIInChI=1S/C6H12N2O2/c7-3-6(10)8-2-1-5(9)4-8/h5,9H,1-4,7H2
InChIKeyFCFUVRKPBYUYOI-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.46
Rot. Bonds1

About 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone

2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 22556964) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID22556964
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESNCC(=O)N1CCC(O)C1
InChIInChI=1S/C6H12N2O2/c7-3-6(10)8-2-1-5(9)4-8/h5,9H,1-4,7H2
InChIKeyFCFUVRKPBYUYOI-UHFFFAOYSA-N
XLogP-1.46
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 22556964) is 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone is NCC(=O)N1CCC(O)C1.
What is the InChIKey of 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is FCFUVRKPBYUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-6(10)8-2-1-5(9)4-8/h5,9H,1-4,7H2.
What are the key properties of 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone?
2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 144.17 g/mol, XLogP of -1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 22556964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).