2-(3-methylbutan-2-ylideneamino)oxyacetic acid

C7H13NO3 — CID 77013154

IUPAC2-(3-methylbutan-2-ylideneamino)oxyacetic acid
SMILESCC(=NOCC(=O)O)C(C)C
InChIInChI=1S/C7H13NO3/c1-5(2)6(3)8-11-4-7(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKeyDDQCNUDRFUVNKV-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.12
Rot. Bonds4

About 2-(3-methylbutan-2-ylideneamino)oxyacetic acid

2-(3-methylbutan-2-ylideneamino)oxyacetic acid (PubChem CID 77013154) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylideneamino)oxyacetic acid
PubChem CID77013154
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(3-methylbutan-2-ylideneamino)oxyacetic acid
SMILESCC(=NOCC(=O)O)C(C)C
InChIInChI=1S/C7H13NO3/c1-5(2)6(3)8-11-4-7(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKeyDDQCNUDRFUVNKV-UHFFFAOYSA-N
XLogP1.12
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(1-amino-1-hydroxypropan-2-ylidene)amino]oxyacetic acid
CID 118219538
2-(pentan-2-ylideneamino)oxyacetic acid
CID 77013180
2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid
CID 167352426
2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
CID 77013247
2-(heptan-2-ylideneamino)oxyacetic acid
CID 80558488
2-(6,6,6-trifluorohexan-2-ylideneamino)oxyacetic acid
CID 104889945
3-methyl-N-silyloxybutan-2-imine
CID 130884535
2-[(E)-hexadecan-8-ylideneamino]oxyacetic acid
CID 139309073
2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
CID 12642600
2-[(E)-(3-methyl-3-phenylbutan-2-ylidene)amino]oxyacetic acid
CID 167352407
2-[(Z)-1-phenylbutan-2-ylideneamino]oxyacetic acid
CID 79007723
2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
CID 58663104

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylideneamino)oxyacetic acid?
The IUPAC name of 2-(3-methylbutan-2-ylideneamino)oxyacetic acid (CID 77013154) is 2-(3-methylbutan-2-ylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(3-methylbutan-2-ylideneamino)oxyacetic acid?
The canonical SMILES for 2-(3-methylbutan-2-ylideneamino)oxyacetic acid is CC(=NOCC(=O)O)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylideneamino)oxyacetic acid?
The InChIKey is DDQCNUDRFUVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)6(3)8-11-4-7(9)10/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of 2-(3-methylbutan-2-ylideneamino)oxyacetic acid?
2-(3-methylbutan-2-ylideneamino)oxyacetic acid has a molecular weight of 159.18 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylideneamino)oxyacetic acid is sourced from PubChem (CID 77013154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).