propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate

C11H23NO3 — CID 106146656

IUPACpropan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
SMILESCC(C)OC(=O)CNCC(C)(C)CCO
InChIInChI=1S/C11H23NO3/c1-9(2)15-10(14)7-12-8-11(3,4)5-6-13/h9,12-13H,5-8H2,1-4H3
InChIKeyDMLDDFWYDNIFKQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.94
Rot. Bonds7

About propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate

propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate (PubChem CID 106146656) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
PubChem CID106146656
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namepropan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
SMILESCC(C)OC(=O)CNCC(C)(C)CCO
InChIInChI=1S/C11H23NO3/c1-9(2)15-10(14)7-12-8-11(3,4)5-6-13/h9,12-13H,5-8H2,1-4H3
InChIKeyDMLDDFWYDNIFKQ-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
CID 106146940
ethyl 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]prop-2-enoate
CID 106149122
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
propan-2-yl 2-(2-methylsulfanylethylamino)acetate
CID 63964446
propan-2-yl 2-[2-(trifluoromethylsulfanyl)ethylamino]acetate
CID 106429252

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate (CID 106146656) is propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate is CC(C)OC(=O)CNCC(C)(C)CCO.
What is the InChIKey of propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate?
The InChIKey is DMLDDFWYDNIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)15-10(14)7-12-8-11(3,4)5-6-13/h9,12-13H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate?
propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate has a molecular weight of 217.31 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate is sourced from PubChem (CID 106146656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).