2-amino-3-(4-methanimidoylphenyl)propanoic acid

C10H12N2O2 — CID 143283846

IUPAC2-amino-3-(4-methanimidoylphenyl)propanoic acid
SMILES[H]/N=C/c1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H12N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,6,9,11H,5,12H2,(H,13,14)/b11-6+
InChIKeyMPVKWHXMHLQNBS-IZZDOVSWSA-N
MW192.22 g/mol
LogP0.64
Rot. Bonds4

About 2-amino-3-(4-methanimidoylphenyl)propanoic acid

2-amino-3-(4-methanimidoylphenyl)propanoic acid (PubChem CID 143283846) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-3-(4-methanimidoylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-methanimidoylphenyl)propanoic acid
PubChem CID143283846
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-amino-3-(4-methanimidoylphenyl)propanoic acid
SMILES[H]/N=C/c1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H12N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,6,9,11H,5,12H2,(H,13,14)/b11-6+
InChIKeyMPVKWHXMHLQNBS-IZZDOVSWSA-N
XLogP0.64
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[4-(2-amino-2-iminoethyl)phenyl]propanoic acid
CID 138546911
(2S)-2-amino-3-[4-(2-oxopropyliminomethyl)phenyl]propanoic acid
CID 58271861
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
2-amino-3-[4-[(E)-(formylhydrazinylidene)methyl]phenyl]propanoic acid
CID 59658380
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methanimidoylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-methanimidoylphenyl)propanoic acid (CID 143283846) is 2-amino-3-(4-methanimidoylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-methanimidoylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-methanimidoylphenyl)propanoic acid is [H]/N=C/c1ccc(CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-(4-methanimidoylphenyl)propanoic acid?
The InChIKey is MPVKWHXMHLQNBS-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,6,9,11H,5,12H2,(H,13,14)/b11-6+.
What are the key properties of 2-amino-3-(4-methanimidoylphenyl)propanoic acid?
2-amino-3-(4-methanimidoylphenyl)propanoic acid has a molecular weight of 192.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methanimidoylphenyl)propanoic acid is sourced from PubChem (CID 143283846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).