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

C10H20N2O2 — CID 103355978

IUPAC3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one
SMILESCCC(N)CC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(11)6-9(13)12-5-4-10(2,14)7-12/h8,14H,3-7,11H2,1-2H3
InChIKeyYNYQFBNQVWGRHV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds3

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

3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one (PubChem CID 103355978) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one
PubChem CID103355978
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one
SMILESCCC(N)CC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H20N2O2/c1-3-8(11)6-9(13)12-5-4-10(2,14)7-12/h8,14H,3-7,11H2,1-2H3
InChIKeyYNYQFBNQVWGRHV-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-methylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
CID 170196545
2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
CID 170366403
3-(Ethylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 112737752
2-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
CID 113264283
3-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119800816
3-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 119800817
3-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120501499
3-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylbutan-1-one
CID 120501500
4-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120563291
4-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
CID 120563292
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 121554164
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 124596508

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one (CID 103355978) is 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one is CCC(N)CC(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is YNYQFBNQVWGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8(11)6-9(13)12-5-4-10(2,14)7-12/h8,14H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one?
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 3 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)pentan-1-one is sourced from PubChem (CID 103355978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).