2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid

C16H23NO4 — CID 120530355

IUPAC2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCCC(C)C(C)C(=O)NC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-10(2)11(3)15(18)17-14(16(19)20)12-6-8-13(21-4)9-7-12/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyGNMAWSZITMTIPI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.62
Rot. Bonds7

About 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid

2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid (PubChem CID 120530355) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
PubChem CID120530355
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCCC(C)C(C)C(=O)NC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-10(2)11(3)15(18)17-14(16(19)20)12-6-8-13(21-4)9-7-12/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyGNMAWSZITMTIPI-UHFFFAOYSA-N
XLogP2.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid
CID 82344775
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
4-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498878
2-[(2-amino-3-methylpentanoyl)amino]-2-(4-hydroxyphenyl)acetic acid
CID 20562428
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
CID 119367809
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid (CID 120530355) is 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid is CCC(C)C(C)C(=O)NC(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is GNMAWSZITMTIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-10(2)11(3)15(18)17-14(16(19)20)12-6-8-13(21-4)9-7-12/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid?
2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 120530355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).