2-[[amino(phenyl)methylidene]amino]pentanoic acid

C12H16N2O2 — CID 154459361

IUPAC2-[[amino(phenyl)methylidene]amino]pentanoic acid
SMILESCCCC(/N=C(\N)c1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-2-6-10(12(15)16)14-11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyAYWYTNFLLVIQJM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.65
Rot. Bonds5

About 2-[[amino(phenyl)methylidene]amino]pentanoic acid

2-[[amino(phenyl)methylidene]amino]pentanoic acid (PubChem CID 154459361) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[[amino(phenyl)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[amino(phenyl)methylidene]amino]pentanoic acid
PubChem CID154459361
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[[amino(phenyl)methylidene]amino]pentanoic acid
SMILESCCCC(/N=C(\N)c1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O2/c1-2-6-10(12(15)16)14-11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyAYWYTNFLLVIQJM-UHFFFAOYSA-N
XLogP1.65
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[amino(phenyl)methylidene]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino(phenyl)methylidene]amino]-4-methylsulfanylbutanoic acid
CID 70606122
ethyl 2-(benzhydrylideneamino)pentanoate
CID 58898498
methyl 2-[[amino(phenyl)methylidene]amino]-4-methylsulfanylbutanoate
CID 21326428
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
[(Z)-[amino(phenyl)methylidene]amino] propanoate
CID 12649620
2-[[amino-(ethoxycarbonylamino)methylidene]amino]pentanoic acid
CID 143710214
2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
phenacyl 2-propylpentanoate
CID 3018234
2-(benzhydrylideneamino)-4-methylpentanoic acid
CID 87285851
[amino(phenyl)methylidene]carbamic acid
CID 54409873
2-(benzenecarbonothioyloxy)pentanoic acid
CID 174841835

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(phenyl)methylidene]amino]pentanoic acid?
The IUPAC name of 2-[[amino(phenyl)methylidene]amino]pentanoic acid (CID 154459361) is 2-[[amino(phenyl)methylidene]amino]pentanoic acid.
What is the SMILES notation for 2-[[amino(phenyl)methylidene]amino]pentanoic acid?
The canonical SMILES for 2-[[amino(phenyl)methylidene]amino]pentanoic acid is CCCC(/N=C(\N)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[amino(phenyl)methylidene]amino]pentanoic acid?
The InChIKey is AYWYTNFLLVIQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-6-10(12(15)16)14-11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-[[amino(phenyl)methylidene]amino]pentanoic acid?
2-[[amino(phenyl)methylidene]amino]pentanoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(phenyl)methylidene]amino]pentanoic acid is sourced from PubChem (CID 154459361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).