2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid

C10H9Cl2NO2 — CID 22236669

IUPAC2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
SMILESCC(/N=C/c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H9Cl2NO2/c1-6(10(14)15)13-5-7-2-3-8(11)9(12)4-7/h2-6H,1H3,(H,14,15)/b13-5+
InChIKeyUFHZGUBSMLNRDS-WLRTZDKTSA-N
MW246.09 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid

2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid (PubChem CID 22236669) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
PubChem CID22236669
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
SMILESCC(/N=C/c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H9Cl2NO2/c1-6(10(14)15)13-5-7-2-3-8(11)9(12)4-7/h2-6H,1H3,(H,14,15)/b13-5+
InChIKeyUFHZGUBSMLNRDS-WLRTZDKTSA-N
XLogP2.89
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-[(2S)-1-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 98573534
(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 136916103
(Z)-1-(3,4-dichlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]methanimine
CID 6108687
2-[(3,4-dichlorophenyl)methylideneamino]-4-methylsulfanylbutanamide
CID 110193000
2-[(4-chlorophenyl)methylideneamino]propanoate
CID 19426325
(E)-1-(3,4-dichlorophenyl)-4-methylpent-1-en-3-one
CID 6284815
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
CID 53468142
[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone
CID 10784299
[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474227
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 6265900

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid (CID 22236669) is 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid is CC(/N=C/c1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid?
The InChIKey is UFHZGUBSMLNRDS-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-6(10(14)15)13-5-7-2-3-8(11)9(12)4-7/h2-6H,1H3,(H,14,15)/b13-5+.
What are the key properties of 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid?
2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid has a molecular weight of 246.09 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid is sourced from PubChem (CID 22236669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).