(2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one

C10H19N3O — CID 22689891

IUPAC(2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCN=C1C
InChIInChI=1S/C10H19N3O/c1-4-7(2)9(11)10(14)13-6-5-12-8(13)3/h7,9H,4-6,11H2,1-3H3/t7?,9-/m0/s1
InChIKeyWWFBQLRUCWJCTJ-NETXQHHPSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds3

About (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one

(2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one (PubChem CID 22689891) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one
PubChem CID22689891
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCN=C1C
InChIInChI=1S/C10H19N3O/c1-4-7(2)9(11)10(14)13-6-5-12-8(13)3/h7,9H,4-6,11H2,1-3H3/t7?,9-/m0/s1
InChIKeyWWFBQLRUCWJCTJ-NETXQHHPSA-N
XLogP0.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one (CID 22689891) is (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one is CCC(C)[C@H](N)C(=O)N1CCN=C1C.
What is the InChIKey of (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one?
The InChIKey is WWFBQLRUCWJCTJ-NETXQHHPSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-7(2)9(11)10(14)13-6-5-12-8(13)3/h7,9H,4-6,11H2,1-3H3/t7?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one?
(2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)pentan-1-one is sourced from PubChem (CID 22689891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).