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

C9H18N2O2 — CID 64679140

IUPAC3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,10)5-8(13)11-4-3-7(12)6-11/h7,12H,3-6,10H2,1-2H3
InChIKeyKQSUNYQLNKANHX-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds2

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

3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 64679140) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID64679140
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,10)5-8(13)11-4-3-7(12)6-11/h7,12H,3-6,10H2,1-2H3
InChIKeyKQSUNYQLNKANHX-UHFFFAOYSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 171073112
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
CID 176931826
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one (CID 64679140) is 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is CC(C)(N)CC(=O)N1CCC(O)C1.
What is the InChIKey of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is KQSUNYQLNKANHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,10)5-8(13)11-4-3-7(12)6-11/h7,12H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one?
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.29, 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-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 64679140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).