2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid

C8H15NO3 — CID 90767344

IUPAC2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)OC(C)(C)C
InChIInChI=1S/C8H15NO3/c1-6(9-5-7(10)11)12-8(2,3)4/h5H2,1-4H3,(H,10,11)/b9-6+
InChIKeySKLPZSIWNKBUHC-RMKNXTFCSA-N
MW173.21 g/mol
LogP1.30
Rot. Bonds2

About 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid

2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid (PubChem CID 90767344) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid
PubChem CID90767344
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid
SMILESC/C(=N\CC(=O)O)OC(C)(C)C
InChIInChI=1S/C8H15NO3/c1-6(9-5-7(10)11)12-8(2,3)4/h5H2,1-4H3,(H,10,11)/b9-6+
InChIKeySKLPZSIWNKBUHC-RMKNXTFCSA-N
XLogP1.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

eth-(E)-ylideneamino-acetic acid tert-butyl ester
CID 58046950
Tert-butyl 2-(propan-2-ylideneamino)acetate
CID 23137660
2-[[1-[(2-Methylpropan-2-yl)oxy]-1-oxopropan-2-ylidene]amino]acetic acid
CID 54106738
2-[[3-[(2-Methylpropan-2-yl)oxy]-3-oxopropylidene]amino]acetic acid
CID 57230400
Methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate
CID 123711525
Tert-butyl 2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylideneamino)acetate
CID 158444021

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid (CID 90767344) is 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid is C/C(=N\CC(=O)O)OC(C)(C)C.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid?
The InChIKey is SKLPZSIWNKBUHC-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(9-5-7(10)11)12-8(2,3)4/h5H2,1-4H3,(H,10,11)/b9-6+.
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid?
2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetic acid is sourced from PubChem (CID 90767344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).