2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid

C15H21NO4 — CID 61263016

IUPAC2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
SMILESCC(C)OCc1ccc(C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)20-9-11-5-7-12(8-6-11)13(17)16-15(3,4)14(18)19/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyXKUWABDEWJIQOQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.20
Rot. Bonds6

About 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid

2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid (PubChem CID 61263016) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
PubChem CID61263016
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
SMILESCC(C)OCc1ccc(C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)20-9-11-5-7-12(8-6-11)13(17)16-15(3,4)14(18)19/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyXKUWABDEWJIQOQ-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
2-methyl-2-[(4-pentylbenzoyl)amino]propanoic acid
CID 167119423
2-methyl-2-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]propanoic acid
CID 120515987
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726179
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
CID 62517205
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8644478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid (CID 61263016) is 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid is CC(C)OCc1ccc(C(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid?
The InChIKey is XKUWABDEWJIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)20-9-11-5-7-12(8-6-11)13(17)16-15(3,4)14(18)19/h5-8,10H,9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid?
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 61263016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).