2-[5-amino-2-(aminomethyl)anilino]acetic acid

C9H13N3O2 — CID 174506358

IUPAC2-[5-amino-2-(aminomethyl)anilino]acetic acid
SMILESNCc1ccc(N)cc1NCC(=O)O
InChIInChI=1S/C9H13N3O2/c10-4-6-1-2-7(11)3-8(6)12-5-9(13)14/h1-3,12H,4-5,10-11H2,(H,13,14)
InChIKeyUAJODNVJHSTJJO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.22
Rot. Bonds4

About 2-[5-amino-2-(aminomethyl)anilino]acetic acid

2-[5-amino-2-(aminomethyl)anilino]acetic acid (PubChem CID 174506358) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[5-amino-2-(aminomethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[5-amino-2-(aminomethyl)anilino]acetic acid
PubChem CID174506358
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[5-amino-2-(aminomethyl)anilino]acetic acid
SMILESNCc1ccc(N)cc1NCC(=O)O
InChIInChI=1S/C9H13N3O2/c10-4-6-1-2-7(11)3-8(6)12-5-9(13)14/h1-3,12H,4-5,10-11H2,(H,13,14)
InChIKeyUAJODNVJHSTJJO-UHFFFAOYSA-N
XLogP0.22
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-aminophenyl)anilino]acetic acid
CID 22051456
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(2-amino-4-bromoanilino)acetic acid
CID 62253312
ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate
CID 91559008
2-[(7-aminoisoquinolin-1-yl)amino]acetic acid
CID 82570060
4-amino-2-(aminomethyl)phenol;dihydrochloride
CID 5463812
4-(aminomethyl)-3-bromoaniline;hydrochloride
CID 122199413
bis(4-amino-2-(aminomethyl)phenol);dihydrochloride
CID 91620372
2-(2-amino-3-chloroanilino)acetic acid
CID 104834433
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
2-[5-amino-2-(carbamothioylamino)phenyl]acetic acid
CID 91875473

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(aminomethyl)anilino]acetic acid?
The IUPAC name of 2-[5-amino-2-(aminomethyl)anilino]acetic acid (CID 174506358) is 2-[5-amino-2-(aminomethyl)anilino]acetic acid.
What is the SMILES notation for 2-[5-amino-2-(aminomethyl)anilino]acetic acid?
The canonical SMILES for 2-[5-amino-2-(aminomethyl)anilino]acetic acid is NCc1ccc(N)cc1NCC(=O)O.
What is the InChIKey of 2-[5-amino-2-(aminomethyl)anilino]acetic acid?
The InChIKey is UAJODNVJHSTJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-4-6-1-2-7(11)3-8(6)12-5-9(13)14/h1-3,12H,4-5,10-11H2,(H,13,14).
What are the key properties of 2-[5-amino-2-(aminomethyl)anilino]acetic acid?
2-[5-amino-2-(aminomethyl)anilino]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(aminomethyl)anilino]acetic acid is sourced from PubChem (CID 174506358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).