2-(2-methylpropylideneamino)propanoic acid

C7H13NO2 — CID 14469816

IUPAC2-(2-methylpropylideneamino)propanoic acid
SMILESCC(C)/C=N/C(C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)4-8-6(3)7(9)10/h4-6H,1-3H3,(H,9,10)/b8-4+
InChIKeySNTFUVVFHPJQDB-XBXARRHUSA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-methylpropylideneamino)propanoic acid

2-(2-methylpropylideneamino)propanoic acid (PubChem CID 14469816) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(2-methylpropylideneamino)propanoic acid.

Molecular Properties

Compound Name2-(2-methylpropylideneamino)propanoic acid
PubChem CID14469816
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(2-methylpropylideneamino)propanoic acid
SMILESCC(C)/C=N/C(C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)4-8-6(3)7(9)10/h4-6H,1-3H3,(H,9,10)/b8-4+
InChIKeySNTFUVVFHPJQDB-XBXARRHUSA-N
XLogP1.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylpropylideneamino)propanoic acid?
The IUPAC name of 2-(2-methylpropylideneamino)propanoic acid (CID 14469816) is 2-(2-methylpropylideneamino)propanoic acid.
What is the SMILES notation for 2-(2-methylpropylideneamino)propanoic acid?
The canonical SMILES for 2-(2-methylpropylideneamino)propanoic acid is CC(C)/C=N/C(C)C(=O)O.
What is the InChIKey of 2-(2-methylpropylideneamino)propanoic acid?
The InChIKey is SNTFUVVFHPJQDB-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)4-8-6(3)7(9)10/h4-6H,1-3H3,(H,9,10)/b8-4+.
What are the key properties of 2-(2-methylpropylideneamino)propanoic acid?
2-(2-methylpropylideneamino)propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylideneamino)propanoic acid is sourced from PubChem (CID 14469816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).