2-[(2-aminophenyl)methylideneamino]propanoic acid

C10H12N2O2 — CID 170755961

IUPAC2-[(2-aminophenyl)methylideneamino]propanoic acid
SMILESCC(/N=C/c1ccccc1N)C(=O)O
InChIInChI=1S/C10H12N2O2/c1-7(10(13)14)12-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3,(H,13,14)/b12-6+
InChIKeyNARABTUJYUCPPD-WUXMJOGZSA-N
MW192.22 g/mol
LogP1.16
Rot. Bonds3

About 2-[(2-aminophenyl)methylideneamino]propanoic acid

2-[(2-aminophenyl)methylideneamino]propanoic acid (PubChem CID 170755961) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylideneamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylideneamino]propanoic acid
PubChem CID170755961
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-[(2-aminophenyl)methylideneamino]propanoic acid
SMILESCC(/N=C/c1ccccc1N)C(=O)O
InChIInChI=1S/C10H12N2O2/c1-7(10(13)14)12-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3,(H,13,14)/b12-6+
InChIKeyNARABTUJYUCPPD-WUXMJOGZSA-N
XLogP1.16
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
(2S)-2-[[3-[[(1S)-1-carboxyethyl]iminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]propanoic acid
CID 136861684
(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 136916103
(2S)-2-[(2-formylphenyl)methylideneamino]-3-methylbutanoic acid
CID 138964075
2-(ethyliminomethyl)aniline
CID 55289116
2-[(E)-methoxyiminomethyl]aniline
CID 13163169
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
CID 22236669
benzene-1,2-diamine;carbonic acid
CID 22256139
(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium
CID 54426508
(2S)-2-(ethylideneamino)propanoic acid
CID 45086561

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylideneamino]propanoic acid?
The IUPAC name of 2-[(2-aminophenyl)methylideneamino]propanoic acid (CID 170755961) is 2-[(2-aminophenyl)methylideneamino]propanoic acid.
What is the SMILES notation for 2-[(2-aminophenyl)methylideneamino]propanoic acid?
The canonical SMILES for 2-[(2-aminophenyl)methylideneamino]propanoic acid is CC(/N=C/c1ccccc1N)C(=O)O.
What is the InChIKey of 2-[(2-aminophenyl)methylideneamino]propanoic acid?
The InChIKey is NARABTUJYUCPPD-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(10(13)14)12-6-8-4-2-3-5-9(8)11/h2-7H,11H2,1H3,(H,13,14)/b12-6+.
What are the key properties of 2-[(2-aminophenyl)methylideneamino]propanoic acid?
2-[(2-aminophenyl)methylideneamino]propanoic acid has a molecular weight of 192.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylideneamino]propanoic acid is sourced from PubChem (CID 170755961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).