3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid

C15H21NO4 — CID 120701331

IUPAC3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
SMILESCCOC(C)C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-4-20-11(2)13(17)16-10-15(3,14(18)19)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyMOSNSDRMHFIAOQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.57
Rot. Bonds7

About 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid

3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid (PubChem CID 120701331) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
PubChem CID120701331
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
SMILESCCOC(C)C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-4-20-11(2)13(17)16-10-15(3,14(18)19)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyMOSNSDRMHFIAOQ-UHFFFAOYSA-N
XLogP1.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
3-(3-ethylpentanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701007
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700980
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120700865

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid (CID 120701331) is 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid is CCOC(C)C(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid?
The InChIKey is MOSNSDRMHFIAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-20-11(2)13(17)16-10-15(3,14(18)19)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid?
3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).