N-(Aminoiminomethyl)-N-methyl-beta-alanine

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Basic information

CAS: 35404-55-8
Standard SMILES: CN(CCC(=O)O)C(=N)N
InChIKey: LSJOKOWBJOVVQP-UHFFFAOYSA-N
Molecular formula: C5H11N3O2
Average molar mass: 145.16 g/mol
Monoisotopic mass: 145.08512659

Names & identifiers

Preferred name: N-(Aminoiminomethyl)-N-methyl-beta-alanine
IUPAC: 3-[carbamimidoyl(methyl)amino]propanoic acid

Names & synonyms

N-(AMINOIMINOMETHYL)-N-METHYL-BETA-ALANINE35404-55-8DTXSID80188890RefChem:362547DTXCID40111381N-carbamimidoyl-N-methyl-beta-alanineCHEMBL277898SCHEMBL3175734AKOS0063410293-(N-methyl guanidino)-propionic acid

Database identifiers

CAS: 35404-55-8
PubChem CID: 37126
DTXSID: DTXSID80188890
ChEMBL: CHEMBL277898
Nikkaji: J1.618.110B

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 90.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 146

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Compound notes

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