(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one

C10H20N2O — CID 61148520

IUPAC(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)8(11)9(13)12-6-4-5-7-12/h8H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKeyQYYWFIOBVXLDLZ-MRVPVSSYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds1

About (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one

(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 61148520) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID61148520
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)8(11)9(13)12-6-4-5-7-12/h8H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKeyQYYWFIOBVXLDLZ-MRVPVSSYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one (CID 61148520) is (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one is CC(C)(C)[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is QYYWFIOBVXLDLZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)8(11)9(13)12-6-4-5-7-12/h8H,4-7,11H2,1-3H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one?
(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 61148520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).