2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid

C14H20N2O3 — CID 43318386

IUPAC2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
SMILESCCc1cccc(CC)c1NC(=O)N(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-10-7-6-8-11(5-2)13(10)15-14(19)16(3)9-12(17)18/h6-8H,4-5,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOWXVMGXOGCCVIZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.36
Rot. Bonds5

About 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid

2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid (PubChem CID 43318386) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
PubChem CID43318386
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
SMILESCCc1cccc(CC)c1NC(=O)N(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-4-10-7-6-8-11(5-2)13(10)15-14(19)16(3)9-12(17)18/h6-8H,4-5,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyOWXVMGXOGCCVIZ-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911645
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
1-[(4-cyanophenyl)methyl]-3-(2,6-diethylphenyl)-1-methylurea
CID 86987271
1-[(1-acetylpyrrolidin-3-yl)methyl]-3-(2,6-diethylphenyl)-1-methylurea
CID 75389112
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390
1-(2-cyanoethyl)-3-(2-ethyl-6-methylphenyl)-1-methylurea
CID 3860890
2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
CID 103480815
3-(2,6-diethylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697996
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid (CID 43318386) is 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid is CCc1cccc(CC)c1NC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is OWXVMGXOGCCVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-10-7-6-8-11(5-2)13(10)15-14(19)16(3)9-12(17)18/h6-8H,4-5,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid?
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 43318386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).