2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid

C8H16N2O4 — CID 54487148

IUPAC2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid
SMILESCN(NCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10(4)9-5-6(11)12/h9H,5H2,1-4H3,(H,11,12)
InChIKeyXTCWZHDPHGSMLN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.44
Rot. Bonds3

About 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid

2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid (PubChem CID 54487148) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid
PubChem CID54487148
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid
SMILESCN(NCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10(4)9-5-6(11)12/h9H,5H2,1-4H3,(H,11,12)
InChIKeyXTCWZHDPHGSMLN-UHFFFAOYSA-N
XLogP0.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
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-methyl-N-[[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]amino]carbamate
CID 175503346
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid
CID 2755977
tert-butyl N-[[2-hydroxy-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-methylcarbamate
CID 146561196
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid
CID 66566460
tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
CID 68876436
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
CID 125496778
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid?
The IUPAC name of 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid (CID 54487148) is 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid?
The canonical SMILES for 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid is CN(NCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid?
The InChIKey is XTCWZHDPHGSMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10(4)9-5-6(11)12/h9H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid?
2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid has a molecular weight of 204.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]acetic acid is sourced from PubChem (CID 54487148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).