2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid

C14H18N2O5 — CID 63644567

IUPAC2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(C)c(NC(=O)N(CC(=O)O)CC(=O)O)c(C)c1
InChIInChI=1S/C14H18N2O5/c1-8-4-9(2)13(10(3)5-8)15-14(21)16(6-11(17)18)7-12(19)20/h4-5H,6-7H2,1-3H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyYWFJNJVYYUDASU-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.61
Rot. Bonds5

About 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid (PubChem CID 63644567) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
PubChem CID63644567
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1cc(C)c(NC(=O)N(CC(=O)O)CC(=O)O)c(C)c1
InChIInChI=1S/C14H18N2O5/c1-8-4-9(2)13(10(3)5-8)15-14(21)16(6-11(17)18)7-12(19)20/h4-5H,6-7H2,1-3H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyYWFJNJVYYUDASU-UHFFFAOYSA-N
XLogP1.61
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
CID 61183576
2-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]acetic acid
CID 61192108
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid
CID 63646935
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
2-[bis(prop-2-enyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112570
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid (CID 63644567) is 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid is Cc1cc(C)c(NC(=O)N(CC(=O)O)CC(=O)O)c(C)c1.
What is the InChIKey of 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is YWFJNJVYYUDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-8-4-9(2)13(10(3)5-8)15-14(21)16(6-11(17)18)7-12(19)20/h4-5H,6-7H2,1-3H3,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63644567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).