4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one

C10H19N3O2S — CID 104908462

IUPAC4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
SMILESCSCC[C@@H](N)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C10H19N3O2S/c1-7-9(14)12-4-5-13(7)10(15)8(11)3-6-16-2/h7-8H,3-6,11H2,1-2H3,(H,12,14)/t7?,8-/m1/s1
InChIKeyUHGJRLZGTJRHFG-BRFYHDHCSA-N
MW245.35 g/mol
LogP-0.59
Rot. Bonds4

About 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one

4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one (PubChem CID 104908462) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
PubChem CID104908462
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
SMILESCSCC[C@@H](N)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C10H19N3O2S/c1-7-9(14)12-4-5-13(7)10(15)8(11)3-6-16-2/h7-8H,3-6,11H2,1-2H3,(H,12,14)/t7?,8-/m1/s1
InChIKeyUHGJRLZGTJRHFG-BRFYHDHCSA-N
XLogP-0.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
CID 63605877
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
1-(2-amino-4-methylsulfanylbutanoyl)-1,4-diazepan-5-one
CID 76981850
4-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 55218249
4-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-3-methylpiperazin-2-one
CID 63606215
(2R)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-4-methylsulfanylbutan-1-one
CID 104908618
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104907803
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104908334

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one (CID 104908462) is 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one is CSCC[C@@H](N)C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one?
The InChIKey is UHGJRLZGTJRHFG-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7-9(14)12-4-5-13(7)10(15)8(11)3-6-16-2/h7-8H,3-6,11H2,1-2H3,(H,12,14)/t7?,8-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one?
4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one has a molecular weight of 245.35 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 104908462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).