2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate

C11H22N2O4 — CID 134215846

IUPAC2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate
SMILESCCC(C)(C)OC(=O)CC(O)CNC(=O)NC
InChIInChI=1S/C11H22N2O4/c1-5-11(2,3)17-9(15)6-8(14)7-13-10(16)12-4/h8,14H,5-7H2,1-4H3,(H2,12,13,16)
InChIKeyKMVDFUHOMWTKCF-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.40
Rot. Bonds6

About 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate

2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate (PubChem CID 134215846) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate.

Molecular Properties

Compound Name2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate
PubChem CID134215846
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate
SMILESCCC(C)(C)OC(=O)CC(O)CNC(=O)NC
InChIInChI=1S/C11H22N2O4/c1-5-11(2,3)17-9(15)6-8(14)7-13-10(16)12-4/h8,14H,5-7H2,1-4H3,(H2,12,13,16)
InChIKeyKMVDFUHOMWTKCF-UHFFFAOYSA-N
XLogP0.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate?
The IUPAC name of 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate (CID 134215846) is 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate.
What is the SMILES notation for 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate?
The canonical SMILES for 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate is CCC(C)(C)OC(=O)CC(O)CNC(=O)NC.
What is the InChIKey of 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate?
The InChIKey is KMVDFUHOMWTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-11(2,3)17-9(15)6-8(14)7-13-10(16)12-4/h8,14H,5-7H2,1-4H3,(H2,12,13,16).
What are the key properties of 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate?
2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate has a molecular weight of 246.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 3-hydroxy-4-(methylcarbamoylamino)butanoate is sourced from PubChem (CID 134215846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).