2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid

C14H19NO4 — CID 120558563

IUPAC2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCc1ccccc1C(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-10-7-5-6-8-11(10)12(16)15-14(2,9-19-3)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRDDFQZOSNVNVSB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds6

About 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid

2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 120558563) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID120558563
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCc1ccccc1C(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-10-7-5-6-8-11(10)12(16)15-14(2,9-19-3)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRDDFQZOSNVNVSB-UHFFFAOYSA-N
XLogP1.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120531726
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531764
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
N-[3-(chloromethyl)pentan-3-yl]-2-ethylbenzamide
CID 114304484
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbenzamide
CID 113275780
2-ethyl-N-[2-(2-methoxyethylamino)phenyl]benzamide
CID 99836686
N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
CID 62519943

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid (CID 120558563) is 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid is CCc1ccccc1C(=O)NC(C)(COC)C(=O)O.
What is the InChIKey of 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is RDDFQZOSNVNVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-10-7-5-6-8-11(10)12(16)15-14(2,9-19-3)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120558563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).