2-[(4-methoxy-3-methylbutylidene)amino]acetic acid

C8H15NO3 — CID 87580006

IUPAC2-[(4-methoxy-3-methylbutylidene)amino]acetic acid
SMILESCOCC(C)C/C=N/CC(=O)O
InChIInChI=1S/C8H15NO3/c1-7(6-12-2)3-4-9-5-8(10)11/h4,7H,3,5-6H2,1-2H3,(H,10,11)/b9-4+
InChIKeyKQCQREUTAOBHGD-RUDMXATFSA-N
MW173.21 g/mol
LogP0.81
Rot. Bonds6

About 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid

2-[(4-methoxy-3-methylbutylidene)amino]acetic acid (PubChem CID 87580006) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylbutylidene)amino]acetic acid
PubChem CID87580006
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(4-methoxy-3-methylbutylidene)amino]acetic acid
SMILESCOCC(C)C/C=N/CC(=O)O
InChIInChI=1S/C8H15NO3/c1-7(6-12-2)3-4-9-5-8(10)11/h4,7H,3,5-6H2,1-2H3,(H,10,11)/b9-4+
InChIKeyKQCQREUTAOBHGD-RUDMXATFSA-N
XLogP0.81
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid?
The IUPAC name of 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid (CID 87580006) is 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid?
The canonical SMILES for 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid is COCC(C)C/C=N/CC(=O)O.
What is the InChIKey of 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid?
The InChIKey is KQCQREUTAOBHGD-RUDMXATFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(6-12-2)3-4-9-5-8(10)11/h4,7H,3,5-6H2,1-2H3,(H,10,11)/b9-4+.
What are the key properties of 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid?
2-[(4-methoxy-3-methylbutylidene)amino]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylbutylidene)amino]acetic acid is sourced from PubChem (CID 87580006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).