(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide

C12H24N2O4S — CID 25170536

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide
SMILESCSCCCNC(=O)CNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C12H24N2O4S/c1-12(2,8-15)10(17)11(18)14-7-9(16)13-5-4-6-19-3/h10,15,17H,4-8H2,1-3H3,(H,13,16)(H,14,18)/t10-/m0/s1
InChIKeyBGHCYMGCFUMLEC-JTQLQIEISA-N
MW292.40 g/mol
LogP-0.65
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide (PubChem CID 25170536) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide
PubChem CID25170536
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide
SMILESCSCCCNC(=O)CNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C12H24N2O4S/c1-12(2,8-15)10(17)11(18)14-7-9(16)13-5-4-6-19-3/h10,15,17H,4-8H2,1-3H3,(H,13,16)(H,14,18)/t10-/m0/s1
InChIKeyBGHCYMGCFUMLEC-JTQLQIEISA-N
XLogP-0.65
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide (CID 25170536) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide is CSCCCNC(=O)CNC(=O)[C@H](O)C(C)(C)CO.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide?
The InChIKey is BGHCYMGCFUMLEC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,8-15)10(17)11(18)14-7-9(16)13-5-4-6-19-3/h10,15,17H,4-8H2,1-3H3,(H,13,16)(H,14,18)/t10-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide has a molecular weight of 292.40 g/mol, XLogP of -0.65, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 25170536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).