2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate

C11H21NO4 — CID 129308235

IUPAC2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate
SMILESCC(C)CC(C)COC(=O)CNC(=O)CO
InChIInChI=1S/C11H21NO4/c1-8(2)4-9(3)7-16-11(15)5-12-10(14)6-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyALIOTLGMUSLSQU-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.32
Rot. Bonds7

About 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate

2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate (PubChem CID 129308235) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate.

Molecular Properties

Compound Name2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate
PubChem CID129308235
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate
SMILESCC(C)CC(C)COC(=O)CNC(=O)CO
InChIInChI=1S/C11H21NO4/c1-8(2)4-9(3)7-16-11(15)5-12-10(14)6-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyALIOTLGMUSLSQU-UHFFFAOYSA-N
XLogP0.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,4-trimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate
CID 135136923
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
3-(2,4-dimethylpentoxy)-3-oxopropane-1-sulfonic acid
CID 166989431
2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate
CID 90383636
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
methane;2-methylpropyl 2-(methylamino)acetate
CID 162173386
2,4-dimethylpentyl 2-methylidenebutanoate
CID 156770832
bis(3-hydroxy-2-methylpropyl) butanedioate
CID 58942758
4-(2,4-dimethylpentoxy)-4-oxobut-2-enoic acid
CID 54038646
2,4-dimethylpentyl 2-(4-tert-butylcyclohexylidene)acetate
CID 101092701
(3R)-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethylhexanamide
CID 95211996
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate?
The IUPAC name of 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate (CID 129308235) is 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate.
What is the SMILES notation for 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate?
The canonical SMILES for 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate is CC(C)CC(C)COC(=O)CNC(=O)CO.
What is the InChIKey of 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate?
The InChIKey is ALIOTLGMUSLSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)4-9(3)7-16-11(15)5-12-10(14)6-13/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate?
2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate is sourced from PubChem (CID 129308235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).