2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid

C12H14N2O5 — CID 43465546

IUPAC2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)O)c(O)c1
InChIInChI=1S/C12H14N2O5/c1-7-2-3-8(9(15)4-7)12(19)14-5-10(16)13-6-11(17)18/h2-4,15H,5-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUWVQBDSYXXMIEO-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.37
Rot. Bonds5

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

2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 43465546) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
PubChem CID43465546
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)O)c(O)c1
InChIInChI=1S/C12H14N2O5/c1-7-2-3-8(9(15)4-7)12(19)14-5-10(16)13-6-11(17)18/h2-4,15H,5-6H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUWVQBDSYXXMIEO-UHFFFAOYSA-N
XLogP-0.37
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387599
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311867
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 113220519
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid (CID 43465546) is 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid is Cc1ccc(C(=O)NCC(=O)NCC(=O)O)c(O)c1.
What is the InChIKey of 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is UWVQBDSYXXMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7-2-3-8(9(15)4-7)12(19)14-5-10(16)13-6-11(17)18/h2-4,15H,5-6H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 266.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).