[2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate

C11H22N2O4 — CID 134215853

IUPAC[2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CNC(=O)NC
InChIInChI=1S/C11H22N2O4/c1-5-11(2,3)9(15)17-7-8(14)6-13-10(16)12-4/h8,14H,5-7H2,1-4H3,(H2,12,13,16)
InChIKeyKIOOHJRUWSAEKK-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.26
Rot. Bonds6

About [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate

[2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate (PubChem CID 134215853) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate
PubChem CID134215853
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name[2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)CNC(=O)NC
InChIInChI=1S/C11H22N2O4/c1-5-11(2,3)9(15)17-7-8(14)6-13-10(16)12-4/h8,14H,5-7H2,1-4H3,(H2,12,13,16)
InChIKeyKIOOHJRUWSAEKK-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethylamino)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 153430114
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 162488757
[3-(2,3-dihydroxypropanoyloxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 155624591
[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] benzoate
CID 54296810
2,3-dihydroxypropyl 2,2-dimethylbutanoate;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate
CID 157133571
4-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclobutane-1,2,3-tricarboxylic acid
CID 21045150
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
CID 134215746

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate (CID 134215853) is [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(O)CNC(=O)NC.
What is the InChIKey of [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate?
The InChIKey is KIOOHJRUWSAEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-11(2,3)9(15)17-7-8(14)6-13-10(16)12-4/h8,14H,5-7H2,1-4H3,(H2,12,13,16).
What are the key properties of [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate?
[2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate has a molecular weight of 246.31 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(methylcarbamoylamino)propyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 134215853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).