2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid

C15H22N2O3 — CID 63066316

IUPAC2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cccc(C)c1NC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)8-17(9-13(18)19)15(20)16-14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyBUNLNUHSVCMIDN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.88
Rot. Bonds5

About 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid

2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63066316) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63066316
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cccc(C)c1NC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)8-17(9-13(18)19)15(20)16-14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyBUNLNUHSVCMIDN-UHFFFAOYSA-N
XLogP2.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066150
2-[(3-ethynylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63064191
2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
CID 63064367
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
2-[1,3-benzothiazol-2-ylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 63066489
2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065085
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 66251389
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065425
2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4214323
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid (CID 63066316) is 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid is Cc1cccc(C)c1NC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is BUNLNUHSVCMIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)8-17(9-13(18)19)15(20)16-14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).