2-[bis(benzamidomethyl)amino]acetic acid

C18H19N3O4 — CID 12052296

IUPAC2-[bis(benzamidomethyl)amino]acetic acid
SMILESO=C(O)CN(CNC(=O)c1ccccc1)CNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4/c22-16(23)11-21(12-19-17(24)14-7-3-1-4-8-14)13-20-18(25)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyUDEOOUHYZDXYPW-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.15
Rot. Bonds8

About 2-[bis(benzamidomethyl)amino]acetic acid

2-[bis(benzamidomethyl)amino]acetic acid (PubChem CID 12052296) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[bis(benzamidomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(benzamidomethyl)amino]acetic acid
PubChem CID12052296
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[bis(benzamidomethyl)amino]acetic acid
SMILESO=C(O)CN(CNC(=O)c1ccccc1)CNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4/c22-16(23)11-21(12-19-17(24)14-7-3-1-4-8-14)13-20-18(25)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyUDEOOUHYZDXYPW-UHFFFAOYSA-N
XLogP1.15
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-(nitrosomethyl)benzamide
CID 91609331
N-ethylbenzamide
CID 160772566
[2-benzamidoethyl(phosphonomethyl)amino]methylphosphonic acid
CID 13159891
N-ethylbenzamide;hydrochloride
CID 57444995
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-(2-aminoethyl)benzamide;ethane
CID 143976252
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;benzoate
CID 174836558
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467
ethyl 2-[benzamidomethyl(nitroso)amino]acetate
CID 23238788
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611

Frequently Asked Questions

What is the IUPAC name of 2-[bis(benzamidomethyl)amino]acetic acid?
The IUPAC name of 2-[bis(benzamidomethyl)amino]acetic acid (CID 12052296) is 2-[bis(benzamidomethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(benzamidomethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(benzamidomethyl)amino]acetic acid is O=C(O)CN(CNC(=O)c1ccccc1)CNC(=O)c1ccccc1.
What is the InChIKey of 2-[bis(benzamidomethyl)amino]acetic acid?
The InChIKey is UDEOOUHYZDXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16(23)11-21(12-19-17(24)14-7-3-1-4-8-14)13-20-18(25)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,24)(H,20,25)(H,22,23).
What are the key properties of 2-[bis(benzamidomethyl)amino]acetic acid?
2-[bis(benzamidomethyl)amino]acetic acid has a molecular weight of 341.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(benzamidomethyl)amino]acetic acid is sourced from PubChem (CID 12052296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).