3-[(1-amino-2-methylpropylidene)amino]propanoic acid

C7H14N2O2 — CID 18510056

IUPAC3-[(1-amino-2-methylpropylidene)amino]propanoic acid
SMILESCC(C)/C(N)=N/CCC(=O)O
InChIInChI=1S/C7H14N2O2/c1-5(2)7(8)9-4-3-6(10)11/h5H,3-4H2,1-2H3,(H2,8,9)(H,10,11)
InChIKeyMNULHGQAROOBFB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.47
Rot. Bonds4

About 3-[(1-amino-2-methylpropylidene)amino]propanoic acid

3-[(1-amino-2-methylpropylidene)amino]propanoic acid (PubChem CID 18510056) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[(1-amino-2-methylpropylidene)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-amino-2-methylpropylidene)amino]propanoic acid
PubChem CID18510056
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[(1-amino-2-methylpropylidene)amino]propanoic acid
SMILESCC(C)/C(N)=N/CCC(=O)O
InChIInChI=1S/C7H14N2O2/c1-5(2)7(8)9-4-3-6(10)11/h5H,3-4H2,1-2H3,(H2,8,9)(H,10,11)
InChIKeyMNULHGQAROOBFB-UHFFFAOYSA-N
XLogP0.47
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[(1-amino-2-methylpropylidene)amino]propanoic acid?
The IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]propanoic acid (CID 18510056) is 3-[(1-amino-2-methylpropylidene)amino]propanoic acid.
What is the SMILES notation for 3-[(1-amino-2-methylpropylidene)amino]propanoic acid?
The canonical SMILES for 3-[(1-amino-2-methylpropylidene)amino]propanoic acid is CC(C)/C(N)=N/CCC(=O)O.
What is the InChIKey of 3-[(1-amino-2-methylpropylidene)amino]propanoic acid?
The InChIKey is MNULHGQAROOBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)7(8)9-4-3-6(10)11/h5H,3-4H2,1-2H3,(H2,8,9)(H,10,11).
What are the key properties of 3-[(1-amino-2-methylpropylidene)amino]propanoic acid?
3-[(1-amino-2-methylpropylidene)amino]propanoic acid has a molecular weight of 158.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylpropylidene)amino]propanoic acid is sourced from PubChem (CID 18510056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).