[(Z)-(1-amino-2-methylpropylidene)amino] acetate

C6H12N2O2 — CID 58757444

IUPAC[(Z)-(1-amino-2-methylpropylidene)amino] acetate
SMILESCC(=O)O/N=C(\N)C(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)6(7)8-10-5(3)9/h4H,1-3H3,(H2,7,8)
InChIKeyJTDCPEVEERREOS-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds2

About [(Z)-(1-amino-2-methylpropylidene)amino] acetate

[(Z)-(1-amino-2-methylpropylidene)amino] acetate (PubChem CID 58757444) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(Z)-(1-amino-2-methylpropylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(1-amino-2-methylpropylidene)amino] acetate
PubChem CID58757444
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name[(Z)-(1-amino-2-methylpropylidene)amino] acetate
SMILESCC(=O)O/N=C(\N)C(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)6(7)8-10-5(3)9/h4H,1-3H3,(H2,7,8)
InChIKeyJTDCPEVEERREOS-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.48
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'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-amino-2-methylpropylidene)amino] acetate?
The IUPAC name of [(Z)-(1-amino-2-methylpropylidene)amino] acetate (CID 58757444) is [(Z)-(1-amino-2-methylpropylidene)amino] acetate.
What is the SMILES notation for [(Z)-(1-amino-2-methylpropylidene)amino] acetate?
The canonical SMILES for [(Z)-(1-amino-2-methylpropylidene)amino] acetate is CC(=O)O/N=C(\N)C(C)C.
What is the InChIKey of [(Z)-(1-amino-2-methylpropylidene)amino] acetate?
The InChIKey is JTDCPEVEERREOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)6(7)8-10-5(3)9/h4H,1-3H3,(H2,7,8).
What are the key properties of [(Z)-(1-amino-2-methylpropylidene)amino] acetate?
[(Z)-(1-amino-2-methylpropylidene)amino] acetate has a molecular weight of 144.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-amino-2-methylpropylidene)amino] acetate is sourced from PubChem (CID 58757444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).