2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid

C11H21NO5 — CID 120531922

IUPAC2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCC(C)OCC(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C11H21NO5/c1-5-8(2)17-6-9(13)12-11(3,7-16-4)10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyYNAAXFMXUXMJFK-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.41
Rot. Bonds8

About 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid

2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 120531922) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID120531922
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCC(C)OCC(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C11H21NO5/c1-5-8(2)17-6-9(13)12-11(3,7-16-4)10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyYNAAXFMXUXMJFK-UHFFFAOYSA-N
XLogP0.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115910312
2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
CID 120531855
2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910285
2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910298
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]propanoic acid
CID 120531700
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
3-[(2-butan-2-yloxyacetyl)amino]propanoic acid
CID 120515273
3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
CID 120531785
methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate
CID 134212603
2-(ethylamino)-4-methoxy-2-methylpentanoic acid
CID 64709074
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid (CID 120531922) is 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid is CCC(C)OCC(=O)NC(C)(COC)C(=O)O.
What is the InChIKey of 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is YNAAXFMXUXMJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-5-8(2)17-6-9(13)12-11(3,7-16-4)10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120531922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).