2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid

C10H19NO4 — CID 87341796

IUPAC2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
SMILESCC(CC(=O)OC(C)(C)C)NCC(=O)O
InChIInChI=1S/C10H19NO4/c1-7(11-6-8(12)13)5-9(14)15-10(2,3)4/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyTYRHEFSNZAMELI-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds5

About 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid

2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid (PubChem CID 87341796) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
PubChem CID87341796
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
SMILESCC(CC(=O)OC(C)(C)C)NCC(=O)O
InChIInChI=1S/C10H19NO4/c1-7(11-6-8(12)13)5-9(14)15-10(2,3)4/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyTYRHEFSNZAMELI-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid with MolForge

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Related Compounds

methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
tert-butyl 3-[(2-hydroxy-3,3-dimethylbutyl)amino]butanoate
CID 110012218
tert-butyl 3-(1-hydroxypropan-2-ylamino)butanoate
CID 110012338
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647
tert-butyl 3-[[1-(hydroxymethyl)cyclopropyl]amino]butanoate
CID 115977937
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
tert-butyl (3R)-3-(butanoylamino)butanoate
CID 149206745
2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]amino]acetic acid
CID 87642891
[1-methoxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]phosphanium
CID 123691775
2-[(1S)-1-hydroxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158254830
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid (CID 87341796) is 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid is CC(CC(=O)OC(C)(C)C)NCC(=O)O.
What is the InChIKey of 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid?
The InChIKey is TYRHEFSNZAMELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(11-6-8(12)13)5-9(14)15-10(2,3)4/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid?
2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid is sourced from PubChem (CID 87341796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).