(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one

C12H24N2O — CID 124681873

IUPAC(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C
InChIInChI=1S/C12H24N2O/c1-8(2)7-11(13)12(15)14-6-5-9(3)10(14)4/h8-11H,5-7,13H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyOVNBDJZGXHPUAN-AXFHLTTASA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one

(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one (PubChem CID 124681873) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
PubChem CID124681873
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C
InChIInChI=1S/C12H24N2O/c1-8(2)7-11(13)12(15)14-6-5-9(3)10(14)4/h8-11H,5-7,13H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyOVNBDJZGXHPUAN-AXFHLTTASA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
2-amino-4-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentan-1-one
CID 54871473
2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 62331604
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 90727915
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one (CID 124681873) is (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one is CC(C)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C.
What is the InChIKey of (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one?
The InChIKey is OVNBDJZGXHPUAN-AXFHLTTASA-N. The full InChI is InChI=1S/C12H24N2O/c1-8(2)7-11(13)12(15)14-6-5-9(3)10(14)4/h8-11H,5-7,13H2,1-4H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 124681873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).