4-[[(2-aminoacetyl)amino]methyl]benzoic acid

C10H12N2O3 — CID 25270511

IUPAC4-[[(2-aminoacetyl)amino]methyl]benzoic acid
SMILESNCC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h1-4H,5-6,11H2,(H,12,13)(H,14,15)
InChIKeyRERRGJFDEMSIRH-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.04
Rot. Bonds4

About 4-[[(2-aminoacetyl)amino]methyl]benzoic acid

4-[[(2-aminoacetyl)amino]methyl]benzoic acid (PubChem CID 25270511) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[[(2-aminoacetyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-aminoacetyl)amino]methyl]benzoic acid
PubChem CID25270511
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-[[(2-aminoacetyl)amino]methyl]benzoic acid
SMILESNCC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h1-4H,5-6,11H2,(H,12,13)(H,14,15)
InChIKeyRERRGJFDEMSIRH-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

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4-[(benzylcarbamoylamino)methyl]benzoic acid
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2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride
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4-[(3-aminopropylcarbamoylamino)methyl]benzoic acid
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4-[(3,4-dimethylpentanoylamino)methyl]benzoic acid
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4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
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4-(benzamidomethyl)benzoic acid
CID 10879683
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
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4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
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4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-aminoacetyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-aminoacetyl)amino]methyl]benzoic acid (CID 25270511) is 4-[[(2-aminoacetyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-aminoacetyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-aminoacetyl)amino]methyl]benzoic acid is NCC(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2-aminoacetyl)amino]methyl]benzoic acid?
The InChIKey is RERRGJFDEMSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h1-4H,5-6,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-[[(2-aminoacetyl)amino]methyl]benzoic acid?
4-[[(2-aminoacetyl)amino]methyl]benzoic 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 4-[[(2-aminoacetyl)amino]methyl]benzoic acid is sourced from PubChem (CID 25270511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).