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

C12H24N2O4 — CID 25171160

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide
SMILESCC(C)CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C12H24N2O4/c1-8(2)5-13-9(16)6-14-11(18)10(17)12(3,4)7-15/h8,10,15,17H,5-7H2,1-4H3,(H,13,16)(H,14,18)/t10-/m0/s1
InChIKeyWOXIPYDYSMEWHC-JTQLQIEISA-N
MW260.33 g/mol
LogP-0.75
Rot. Bonds7

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

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide (PubChem CID 25171160) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide
PubChem CID25171160
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide
SMILESCC(C)CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C12H24N2O4/c1-8(2)5-13-9(16)6-14-11(18)10(17)12(3,4)7-15/h8,10,15,17H,5-7H2,1-4H3,(H,13,16)(H,14,18)/t10-/m0/s1
InChIKeyWOXIPYDYSMEWHC-JTQLQIEISA-N
XLogP-0.75
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide (CID 25171160) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide is CC(C)CNC(=O)CNC(=O)[C@H](O)C(C)(C)CO.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The InChIKey is WOXIPYDYSMEWHC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(2)5-13-9(16)6-14-11(18)10(17)12(3,4)7-15/h8,10,15,17H,5-7H2,1-4H3,(H,13,16)(H,14,18)/t10-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide has a molecular weight of 260.33 g/mol, XLogP of -0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 25171160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).