N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide

C12H24N2O4 — CID 11149631

IUPACN,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide
SMILESCC(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H24N2O4/c1-7(2)9(5-15)13-11(17)12(18)14-10(6-16)8(3)4/h7-10,15-16H,5-6H2,1-4H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyWBNFUWMUXIOATD-NXEZZACHSA-N
MW260.33 g/mol
LogP-0.75
Rot. Bonds6

About N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide

N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide (PubChem CID 11149631) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide
PubChem CID11149631
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide
SMILESCC(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H24N2O4/c1-7(2)9(5-15)13-11(17)12(18)14-10(6-16)8(3)4/h7-10,15-16H,5-6H2,1-4H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyWBNFUWMUXIOATD-NXEZZACHSA-N
XLogP-0.75
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

Ala-Val
CID 96799
Ser-Val
CID 7020159
Glycyl-alanyl-valine
CID 129439
2-[[2-[(2-Amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 235009
(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-methylbutanoate
CID 7020158
N,N'-bis(1-hydroxy-3-methylbutan-2-yl)propanediamide
CID 2911778
DL-Ala-DL-Val
CID 137276
Glycyl-glycyl-valine
CID 193555
Valyl-valyl-valine
CID 7020215
(2R)-2-(2-acetamidoacetamido)-3-methylbutanoic acid
CID 28215910
Ala-Gly-Val
CID 49864477
ST040666
CID 469965

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide?
The IUPAC name of N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide (CID 11149631) is N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide.
What is the SMILES notation for N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide?
The canonical SMILES for N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide is CC(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide?
The InChIKey is WBNFUWMUXIOATD-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-7(2)9(5-15)13-11(17)12(18)14-10(6-16)8(3)4/h7-10,15-16H,5-6H2,1-4H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1.
What are the key properties of N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide?
N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide has a molecular weight of 260.33 g/mol, XLogP of -0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide is sourced from PubChem (CID 11149631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).