2-(propan-2-yloxymethylideneamino)acetic acid

C6H11NO3 — CID 21284918

IUPAC2-(propan-2-yloxymethylideneamino)acetic acid
SMILESCC(C)O/C=N/CC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(2)10-4-7-3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/b7-4+
InChIKeyGXAMPLIOPCOIDY-QPJJXVBHSA-N
MW145.16 g/mol
LogP0.52
Rot. Bonds4

About 2-(propan-2-yloxymethylideneamino)acetic acid

2-(propan-2-yloxymethylideneamino)acetic acid (PubChem CID 21284918) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(propan-2-yloxymethylideneamino)acetic acid.

Molecular Properties

Compound Name2-(propan-2-yloxymethylideneamino)acetic acid
PubChem CID21284918
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(propan-2-yloxymethylideneamino)acetic acid
SMILESCC(C)O/C=N/CC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(2)10-4-7-3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/b7-4+
InChIKeyGXAMPLIOPCOIDY-QPJJXVBHSA-N
XLogP0.52
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethylideneamino)acetic acid?
The IUPAC name of 2-(propan-2-yloxymethylideneamino)acetic acid (CID 21284918) is 2-(propan-2-yloxymethylideneamino)acetic acid.
What is the SMILES notation for 2-(propan-2-yloxymethylideneamino)acetic acid?
The canonical SMILES for 2-(propan-2-yloxymethylideneamino)acetic acid is CC(C)O/C=N/CC(=O)O.
What is the InChIKey of 2-(propan-2-yloxymethylideneamino)acetic acid?
The InChIKey is GXAMPLIOPCOIDY-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(2)10-4-7-3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/b7-4+.
What are the key properties of 2-(propan-2-yloxymethylideneamino)acetic acid?
2-(propan-2-yloxymethylideneamino)acetic acid has a molecular weight of 145.16 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethylideneamino)acetic acid is sourced from PubChem (CID 21284918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).