2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid

C14H19NO4 — CID 103018116

IUPAC2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid
SMILESCOC(C)(C)CC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,19-3)9-11(16)15-12(13(17)18)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNSJBUYXJZXINDR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds6

About 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid

2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid (PubChem CID 103018116) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid
PubChem CID103018116
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid
SMILESCOC(C)(C)CC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,19-3)9-11(16)15-12(13(17)18)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNSJBUYXJZXINDR-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300204
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
(2S)-2-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-phenylacetic acid
CID 166385936
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid
CID 119367831

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid (CID 103018116) is 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid is COC(C)(C)CC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid?
The InChIKey is NSJBUYXJZXINDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,19-3)9-11(16)15-12(13(17)18)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid?
2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103018116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).