(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one

C12H24N2O — CID 61165533

IUPAC(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1CCCN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-5-9-7-6-8-14(9)11(15)10(13)12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9?,10-/m1/s1
InChIKeyHQQAHMNZBAUEIC-QVDQXJPCSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds2

About (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one

(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 61165533) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID61165533
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1CCCN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-5-9-7-6-8-14(9)11(15)10(13)12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9?,10-/m1/s1
InChIKeyHQQAHMNZBAUEIC-QVDQXJPCSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
CID 103929702
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79012804
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
CID 77024566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one (CID 61165533) is (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one is CCC1CCCN1C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is HQQAHMNZBAUEIC-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-9-7-6-8-14(9)11(15)10(13)12(2,3)4/h9-10H,5-8,13H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 61165533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).