2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid

C8H15NO5 — CID 2755977

IUPAC2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid
SMILESCN(OCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO5/c1-8(2,3)14-7(12)9(4)13-5-6(10)11/h5H2,1-4H3,(H,10,11)
InChIKeyOVHAGSAFAIGAGZ-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.87
Rot. Bonds3

About 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid (PubChem CID 2755977) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid
PubChem CID2755977
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid
SMILESCN(OCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO5/c1-8(2,3)14-7(12)9(4)13-5-6(10)11/h5H2,1-4H3,(H,10,11)
InChIKeyOVHAGSAFAIGAGZ-UHFFFAOYSA-N
XLogP0.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-aminopropoxy)-N-methylcarbamate
CID 105456367
2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 139578947
2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid
CID 54487148
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
tert-butyl N-methyl-N-methylsulfonylcarbamate
CID 57476619
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 18784338
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid?
The IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid (CID 2755977) is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid?
The canonical SMILES for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid is CN(OCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid?
The InChIKey is OVHAGSAFAIGAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-8(2,3)14-7(12)9(4)13-5-6(10)11/h5H2,1-4H3,(H,10,11).
What are the key properties of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid?
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid has a molecular weight of 205.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid is sourced from PubChem (CID 2755977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).