2-[(1-methoxy-3-methylbutylidene)amino]acetic acid

C8H15NO3 — CID 87281586

IUPAC2-[(1-methoxy-3-methylbutylidene)amino]acetic acid
SMILESCO/C(CC(C)C)=N\CC(=O)O
InChIInChI=1S/C8H15NO3/c1-6(2)4-7(12-3)9-5-8(10)11/h6H,4-5H2,1-3H3,(H,10,11)/b9-7-
InChIKeyUTIUBGFVOLVJQV-CLFYSBASSA-N
MW173.21 g/mol
LogP1.16
Rot. Bonds4

About 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid

2-[(1-methoxy-3-methylbutylidene)amino]acetic acid (PubChem CID 87281586) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methoxy-3-methylbutylidene)amino]acetic acid
PubChem CID87281586
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(1-methoxy-3-methylbutylidene)amino]acetic acid
SMILESCO/C(CC(C)C)=N\CC(=O)O
InChIInChI=1S/C8H15NO3/c1-6(2)4-7(12-3)9-5-8(10)11/h6H,4-5H2,1-3H3,(H,10,11)/b9-7-
InChIKeyUTIUBGFVOLVJQV-CLFYSBASSA-N
XLogP1.16
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.16
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

[3-methyl-but-(E)-ylideneamino]-acetic acid methyl ester
CID 87096444
2-(1-Methoxypentylideneamino)acetic acid
CID 87281578
2-[(1-Methoxy-2-methylpropylidene)amino]acetic acid
CID 87281710
2-[(4-Methoxy-3-methylbutylidene)amino]acetic acid
CID 87580006
2-[(3-Methoxy-2-methylpropylidene)amino]acetic acid
CID 87581525
2-[(1-Methoxy-2-methylpropylidene)amino]propanoic acid
CID 87682775
2-[(1-Methoxy-3-methylbutylidene)amino]propanoic acid
CID 87684910
2-(1-Methoxyethylideneamino)-3-methylbutanoic acid
CID 91331983
2-[(4-Methoxy-3-methyl-4-oxobutan-2-ylidene)amino]propanoic acid
CID 123874602
Methyl 2-[(1-methoxy-2-methylpropylidene)amino]acetate
CID 142792159
Methyl 2-[(1-methoxy-3-methylbutylidene)amino]acetate
CID 142792160

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid?
The IUPAC name of 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid (CID 87281586) is 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid.
What is the SMILES notation for 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid?
The canonical SMILES for 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid is CO/C(CC(C)C)=N\CC(=O)O.
What is the InChIKey of 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid?
The InChIKey is UTIUBGFVOLVJQV-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)4-7(12-3)9-5-8(10)11/h6H,4-5H2,1-3H3,(H,10,11)/b9-7-.
What are the key properties of 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid?
2-[(1-methoxy-3-methylbutylidene)amino]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methylbutylidene)amino]acetic acid is sourced from PubChem (CID 87281586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).