[(Z)-[amino(phenyl)methylidene]amino] propanoate

C10H12N2O2 — CID 12649620

IUPAC[(Z)-[amino(phenyl)methylidene]amino] propanoate
SMILESCCC(=O)O/N=C(\N)c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-9(13)14-12-10(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12)
InChIKeyWAOJVGSXSZHUDU-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.26
Rot. Bonds3

About [(Z)-[amino(phenyl)methylidene]amino] propanoate

[(Z)-[amino(phenyl)methylidene]amino] propanoate (PubChem CID 12649620) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] propanoate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] propanoate
PubChem CID12649620
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] propanoate
SMILESCCC(=O)O/N=C(\N)c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-9(13)14-12-10(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12)
InChIKeyWAOJVGSXSZHUDU-UHFFFAOYSA-N
XLogP1.26
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.26
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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Related Compounds

[(1-oxo-1-phenylpropan-2-ylidene)amino] propanoate
CID 58599131
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[[amino(phenyl)methylidene]amino] 4-phenoxybutanoate
CID 2195339
[[amino(phenyl)methylidene]amino] 2-(3,4-dimethylphenoxy)acetate
CID 2957050
N'-methoxybenzenecarboximidamide
CID 10678407
[(Z)-[amino(phenyl)methylidene]amino] 3-bromobenzoate
CID 5332729
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[(Z)-[amino(phenyl)methylidene]amino] 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 19290062
[[amino-(4-methylphenyl)methylidene]amino] 4-phenoxybutanoate
CID 2238445
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] propanoate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] propanoate (CID 12649620) is [(Z)-[amino(phenyl)methylidene]amino] propanoate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] propanoate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] propanoate is CCC(=O)O/N=C(\N)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] propanoate?
The InChIKey is WAOJVGSXSZHUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-9(13)14-12-10(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] propanoate?
[(Z)-[amino(phenyl)methylidene]amino] propanoate has a molecular weight of 192.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] propanoate is sourced from PubChem (CID 12649620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).