2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid

C16H24N2O3 — CID 103995670

IUPAC2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-13-5-7-14(8-6-13)9-17-16(21)18(10-12(2)3)11-15(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyXOVJNXJTRRDYRI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.50
Rot. Bonds7

About 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid

2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 103995670) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID103995670
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-13-5-7-14(8-6-13)9-17-16(21)18(10-12(2)3)11-15(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyXOVJNXJTRRDYRI-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103997753
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 106900417
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 106900482
2-[(4-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61194395
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 106382782
2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103463265
2-[(5-ethyl-1H-pyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 121499346
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid (CID 103995670) is 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid is CCc1ccc(CNC(=O)N(CC(=O)O)CC(C)C)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is XOVJNXJTRRDYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-13-5-7-14(8-6-13)9-17-16(21)18(10-12(2)3)11-15(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid?
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 103995670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).