(2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one

C12H24N2O — CID 91645089

IUPAC(2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC1CC(C)C
InChIInChI=1S/C12H24N2O/c1-4-11(13)12(15)14-7-5-6-10(14)8-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m0/s1
InChIKeyNBUQCVVAKZMJAR-DTIOYNMSSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one

(2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 91645089) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one
PubChem CID91645089
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC1CC(C)C
InChIInChI=1S/C12H24N2O/c1-4-11(13)12(15)14-7-5-6-10(14)8-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m0/s1
InChIKeyNBUQCVVAKZMJAR-DTIOYNMSSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one (CID 91645089) is (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one is CC[C@H](N)C(=O)N1CCCC1CC(C)C.
What is the InChIKey of (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is NBUQCVVAKZMJAR-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11(13)12(15)14-7-5-6-10(14)8-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one?
(2S)-2-amino-1-[2-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.76, 4 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-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 91645089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).