2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

C8H16N2O2 — CID 103355859

IUPAC2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)7(11)10-4-3-8(2,12)5-10/h6,12H,3-5,9H2,1-2H3
InChIKeyQCRQHACIOBKJBC-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.68
Rot. Bonds1

About 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 103355859) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID103355859
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H16N2O2/c1-6(9)7(11)10-4-3-8(2,12)5-10/h6,12H,3-5,9H2,1-2H3
InChIKeyQCRQHACIOBKJBC-UHFFFAOYSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.68
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-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (CID 103355859) is 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is CC(N)C(=O)N1CCC(C)(O)C1.
What is the InChIKey of 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is QCRQHACIOBKJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(9)7(11)10-4-3-8(2,12)5-10/h6,12H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.68, 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-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 103355859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).