2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate

C11H21NO4 — CID 90383636

IUPAC2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate
SMILESCOCC(=O)NCC(=O)OCC(C)C(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)9(3)6-16-11(14)5-12-10(13)7-15-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyFTNNIYRCVFEBIF-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.58
Rot. Bonds7

About 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate

2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate (PubChem CID 90383636) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate.

Molecular Properties

Compound Name2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate
PubChem CID90383636
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate
SMILESCOCC(=O)NCC(=O)OCC(C)C(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)9(3)6-16-11(14)5-12-10(13)7-15-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyFTNNIYRCVFEBIF-UHFFFAOYSA-N
XLogP0.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
CID 112686620
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2,4-dimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate
CID 129308235
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
2,4,4-trimethylpentyl 2-[(2-hydroxyacetyl)amino]acetate
CID 135136923
2-methoxy-N-propan-2-yloxyacetamide
CID 126991751
methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]acetate
CID 43431221
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
CID 108538544

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate?
The IUPAC name of 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate (CID 90383636) is 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate.
What is the SMILES notation for 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate?
The canonical SMILES for 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate is COCC(=O)NCC(=O)OCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate?
The InChIKey is FTNNIYRCVFEBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)9(3)6-16-11(14)5-12-10(13)7-15-4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate?
2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate is sourced from PubChem (CID 90383636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).