4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one

C9H18N2O2 — CID 81080868

IUPAC4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-7(5-10)4-9(13)11-3-2-8(12)6-11/h7-8,12H,2-6,10H2,1H3
InChIKeyZUTSNOXUFFZWBF-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds3

About 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one

4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 81080868) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID81080868
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-7(5-10)4-9(13)11-3-2-8(12)6-11/h7-8,12H,2-6,10H2,1H3
InChIKeyZUTSNOXUFFZWBF-UHFFFAOYSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 81087263
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 103810666
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 81087927
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 116682344

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (CID 81080868) is 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is CC(CN)CC(=O)N1CCC(O)C1.
What is the InChIKey of 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is ZUTSNOXUFFZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(5-10)4-9(13)11-3-2-8(12)6-11/h7-8,12H,2-6,10H2,1H3.
What are the key properties of 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 81080868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).