2-[(3-methoxy-2-methylpropylidene)amino]acetic acid

C7H13NO3 — CID 87581525

IUPAC2-[(3-methoxy-2-methylpropylidene)amino]acetic acid
SMILESCOCC(C)/C=N/CC(=O)O
InChIInChI=1S/C7H13NO3/c1-6(5-11-2)3-8-4-7(9)10/h3,6H,4-5H2,1-2H3,(H,9,10)/b8-3+
InChIKeyKCJZFGFTUMACRX-FPYGCLRLSA-N
MW159.18 g/mol
LogP0.42
Rot. Bonds5

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

2-[(3-methoxy-2-methylpropylidene)amino]acetic acid (PubChem CID 87581525) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-methylpropylidene)amino]acetic acid
PubChem CID87581525
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[(3-methoxy-2-methylpropylidene)amino]acetic acid
SMILESCOCC(C)/C=N/CC(=O)O
InChIInChI=1S/C7H13NO3/c1-6(5-11-2)3-8-4-7(9)10/h3,6H,4-5H2,1-2H3,(H,9,10)/b8-3+
InChIKeyKCJZFGFTUMACRX-FPYGCLRLSA-N
XLogP0.42
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.42
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-[(3-methoxy-2-methylpropylidene)amino]acetic acid?
The IUPAC name of 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid (CID 87581525) is 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid is COCC(C)/C=N/CC(=O)O.
What is the InChIKey of 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid?
The InChIKey is KCJZFGFTUMACRX-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(5-11-2)3-8-4-7(9)10/h3,6H,4-5H2,1-2H3,(H,9,10)/b8-3+.
What are the key properties of 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid?
2-[(3-methoxy-2-methylpropylidene)amino]acetic acid has a molecular weight of 159.18 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-methylpropylidene)amino]acetic acid is sourced from PubChem (CID 87581525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).