(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one

C9H18N2O2 — CID 103356010

IUPAC(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H18N2O2/c1-3-7(10)8(12)11-5-4-9(2,13)6-11/h7,13H,3-6,10H2,1-2H3/t7-,9?/m1/s1
InChIKeyNXCKOIBHTWLVQU-YOXFSPIKSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds2

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

(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 103356010) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
PubChem CID103356010
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H18N2O2/c1-3-7(10)8(12)11-5-4-9(2,13)6-11/h7,13H,3-6,10H2,1-2H3/t7-,9?/m1/s1
InChIKeyNXCKOIBHTWLVQU-YOXFSPIKSA-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

2-Amino-3,3,3-trifluoro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 103355912
2-Amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 112737759
2-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
CID 113264283
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119333359
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333360
2-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119333361
2-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 119333362
2-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119333375
2-Amino-1-(3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl)propan-1-one
CID 119333376
(2R)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119333387
(2R)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333388
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119333392

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one (CID 103356010) is (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one is CC[C@@H](N)C(=O)N1CCC(C)(O)C1.
What is the InChIKey of (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is NXCKOIBHTWLVQU-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-7(10)8(12)11-5-4-9(2,13)6-11/h7,13H,3-6,10H2,1-2H3/t7-,9?/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one?
(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-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 (2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 103356010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).