2-[[2-(aminomethyl)benzoyl]amino]acetic acid

C10H12N2O3 — CID 57129733

IUPAC2-[[2-(aminomethyl)benzoyl]amino]acetic acid
SMILESNCc1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C10H12N2O3/c11-5-7-3-1-2-4-8(7)10(15)12-6-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)
InChIKeyJADJZNBRCPQOFV-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.04
Rot. Bonds4

About 2-[[2-(aminomethyl)benzoyl]amino]acetic acid

2-[[2-(aminomethyl)benzoyl]amino]acetic acid (PubChem CID 57129733) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)benzoyl]amino]acetic acid
PubChem CID57129733
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[[2-(aminomethyl)benzoyl]amino]acetic acid
SMILESNCc1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C10H12N2O3/c11-5-7-3-1-2-4-8(7)10(15)12-6-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)
InChIKeyJADJZNBRCPQOFV-UHFFFAOYSA-N
XLogP-0.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyanomethyl)benzoyl]amino]acetic acid
CID 82179055
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
[2-(carboxymethylcarbamoyl)phenyl]-chloromercury
CID 19844498
methyl 4-[[2-(aminomethyl)benzoyl]amino]butanoate
CID 82546914
2-[[2-(aminomethyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 82547100
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
5-[[2-(aminomethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 110451899
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
2-[(4-aminonaphthalene-1-carbonyl)amino]acetic acid
CID 164662945
2-(aminomethyl)benzoyl chloride
CID 82503183

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-(aminomethyl)benzoyl]amino]acetic acid (CID 57129733) is 2-[[2-(aminomethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(aminomethyl)benzoyl]amino]acetic acid is NCc1ccccc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(aminomethyl)benzoyl]amino]acetic acid?
The InChIKey is JADJZNBRCPQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-5-7-3-1-2-4-8(7)10(15)12-6-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-[[2-(aminomethyl)benzoyl]amino]acetic acid?
2-[[2-(aminomethyl)benzoyl]amino]acetic acid has a molecular weight of 208.22 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 57129733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).