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

C8H16N2O2 — CID 103355732

IUPAC3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1(O)CCN(C(=O)CCN)C1
InChIInChI=1S/C8H16N2O2/c1-8(12)3-5-10(6-8)7(11)2-4-9/h12H,2-6,9H2,1H3
InChIKeyPAAGTJFBQWQGNC-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.68
Rot. Bonds2

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

3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 103355732) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID103355732
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1(O)CCN(C(=O)CCN)C1
InChIInChI=1S/C8H16N2O2/c1-8(12)3-5-10(6-8)7(11)2-4-9/h12H,2-6,9H2,1H3
InChIKeyPAAGTJFBQWQGNC-UHFFFAOYSA-N
XLogP-0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (CID 103355732) is 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is CC1(O)CCN(C(=O)CCN)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is PAAGTJFBQWQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(12)3-5-10(6-8)7(11)2-4-9/h12H,2-6,9H2,1H3.
What are the key properties of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 103355732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).