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

C14H20N2O3 — CID 61183574

IUPAC2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H20N2O3/c1-5-16(8-12(17)18)14(19)15-13-10(3)6-9(2)7-11(13)4/h6-7H,5,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyIGIHCUHLERJCHD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.55
Rot. Bonds4

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

2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid (PubChem CID 61183574) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
PubChem CID61183574
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H20N2O3/c1-5-16(8-12(17)18)14(19)15-13-10(3)6-9(2)7-11(13)4/h6-7H,5,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyIGIHCUHLERJCHD-UHFFFAOYSA-N
XLogP2.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
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
3-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]propanoic acid
CID 61192110
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951084
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
CID 62809193
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
2-[(5-bromo-2-methylphenyl)carbamoyl-ethylamino]acetic acid
CID 61205603
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid (CID 61183574) is 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is IGIHCUHLERJCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-16(8-12(17)18)14(19)15-13-10(3)6-9(2)7-11(13)4/h6-7H,5,8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid?
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61183574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).