2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid

C14H18N2O4 — CID 43387599

IUPAC2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCc1cc(C)c(C(=O)NCC(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C14H18N2O4/c1-8-4-9(2)13(10(3)5-8)14(20)16-6-11(17)15-7-12(18)19/h4-5H,6-7H2,1-3H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyXIAAOQMMWTXWPY-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.54
Rot. Bonds5

About 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 43387599) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
PubChem CID43387599
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
SMILESCc1cc(C)c(C(=O)NCC(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C14H18N2O4/c1-8-4-9(2)13(10(3)5-8)14(20)16-6-11(17)15-7-12(18)19/h4-5H,6-7H2,1-3H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyXIAAOQMMWTXWPY-UHFFFAOYSA-N
XLogP0.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
CID 82476162
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
CID 43465546
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
CID 110834543

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid (CID 43387599) is 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid is Cc1cc(C)c(C(=O)NCC(=O)NCC(=O)O)c(C)c1.
What is the InChIKey of 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is XIAAOQMMWTXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-4-9(2)13(10(3)5-8)14(20)16-6-11(17)15-7-12(18)19/h4-5H,6-7H2,1-3H3,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).