methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate

C11H23NO3 — CID 114496789

IUPACmethyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate
SMILESCCC(C)(O)CN(CC(=O)OC)C(C)C
InChIInChI=1S/C11H23NO3/c1-6-11(4,14)8-12(9(2)3)7-10(13)15-5/h9,14H,6-8H2,1-5H3
InChIKeyFXUWQORNFOCXQJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds6

About methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate

methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate (PubChem CID 114496789) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate
PubChem CID114496789
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate
SMILESCCC(C)(O)CN(CC(=O)OC)C(C)C
InChIInChI=1S/C11H23NO3/c1-6-11(4,14)8-12(9(2)3)7-10(13)15-5/h9,14H,6-8H2,1-5H3
InChIKeyFXUWQORNFOCXQJ-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731
ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113798
methyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 60766662
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
CID 62026091
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate
CID 62847263
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate (CID 114496789) is methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate is CCC(C)(O)CN(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate?
The InChIKey is FXUWQORNFOCXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-11(4,14)8-12(9(2)3)7-10(13)15-5/h9,14H,6-8H2,1-5H3.
What are the key properties of methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate?
methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 114496789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).