(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid

C8H14N2O3 — CID 166117446

IUPAC(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid
SMILESCO/N=C(\N=C\C(C)(C)C)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-8(2,3)5-9-6(7(11)12)10-13-4/h5H,1-4H3,(H,11,12)/b9-5+,10-6-
InChIKeyMBVABFJUSFRNEY-POQLCMLLSA-N
MW186.21 g/mol
LogP1.15
Rot. Bonds1

About (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid

(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid (PubChem CID 166117446) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid
PubChem CID166117446
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid
SMILESCO/N=C(\N=C\C(C)(C)C)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-8(2,3)5-9-6(7(11)12)10-13-4/h5H,1-4H3,(H,11,12)/b9-5+,10-6-
InChIKeyMBVABFJUSFRNEY-POQLCMLLSA-N
XLogP1.15
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.15
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2,2-dimethylpropylidene)carbamimidate
CID 154035854
2-methoxyimino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 54082963
2-methoxyiminopropanoic acid;zinc
CID 174796491
2,3-bis(methoxyimino)butanoic acid
CID 54102019
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
(4E)-4-methoxyimino-2,2,5-trimethylhexan-3-one
CID 156683675
(2E)-2-cyclopropyl-2-methoxyiminoacetic acid
CID 174045839
2-[(2-methylpropan-2-yl)oxyimino]propanedioic acid
CID 88615209
2-(2,2-dimethylpropylidene)propanedioic acid
CID 58916017
2-chloro-N-[(E)-C-[(E)-3,3-dimethylbut-1-enyl]-N-methoxycarbonimidoyl]acetamide
CID 142867300
(Z)-4-methoxy-4-methylpent-2-enoic acid
CID 175756379
3-amino-3-chloroimino-2-methoxyiminopropanoic acid
CID 71342726

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid?
The IUPAC name of (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid (CID 166117446) is (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid is CO/N=C(\N=C\C(C)(C)C)C(=O)O.
What is the InChIKey of (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid?
The InChIKey is MBVABFJUSFRNEY-POQLCMLLSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2,3)5-9-6(7(11)12)10-13-4/h5H,1-4H3,(H,11,12)/b9-5+,10-6-.
What are the key properties of (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid?
(2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid has a molecular weight of 186.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,2-dimethylpropylideneamino)-2-methoxyiminoacetic acid is sourced from PubChem (CID 166117446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).