2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid

C11H12N2O5 — CID 3478136

IUPAC2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12N2O5/c14-8-3-1-7(2-4-8)11(18)13-5-9(15)12-6-10(16)17/h1-4,14H,5-6H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyIKVRQTRPCFPYIX-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.68
Rot. Bonds5

About 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 3478136) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
PubChem CID3478136
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H12N2O5/c14-8-3-1-7(2-4-8)11(18)13-5-9(15)12-6-10(16)17/h1-4,14H,5-6H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyIKVRQTRPCFPYIX-UHFFFAOYSA-N
XLogP-0.68
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54193828
2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 114019599
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 6914726
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride
CID 120703846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid (CID 3478136) is 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is IKVRQTRPCFPYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-8-3-1-7(2-4-8)11(18)13-5-9(15)12-6-10(16)17/h1-4,14H,5-6H2,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 252.23 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 3478136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).