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

C14H19NO4 — CID 119237712

IUPAC3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
SMILESCOC(C)(C(=O)NCC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(12(16)17)9-15-13(18)14(2,19-3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyXWKKSSHNDKIIDH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds6

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

3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 119237712) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID119237712
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
SMILESCOC(C)(C(=O)NCC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(12(16)17)9-15-13(18)14(2,19-3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyXWKKSSHNDKIIDH-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid
CID 119237596
(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
CID 119238650
2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid
CID 119237236
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide
CID 95310021
2-methoxy-2-phenylpropanehydrazide
CID 138489021
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
CID 119227666
(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide
CID 129471102
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
(2S)-N-[(3-acetamidophenyl)methyl]-2-methoxy-2-phenylpropanamide
CID 95614299
2-amino-N-(2-methoxy-3-methylbutyl)-2-phenylpropanamide;hydrochloride
CID 120593921

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid (CID 119237712) is 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid is COC(C)(C(=O)NCC(C)C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is XWKKSSHNDKIIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(12(16)17)9-15-13(18)14(2,19-3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid?
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).