2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid

C17H25NO4 — CID 119192194

IUPAC2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1ccccc1OC(C)C)C(=O)O
InChIInChI=1S/C17H25NO4/c1-5-10-17(4,16(20)21)18-15(19)11-13-8-6-7-9-14(13)22-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyJEZUKUURZVIFMG-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.78
Rot. Bonds8

About 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid

2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 119192194) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
PubChem CID119192194
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1ccccc1OC(C)C)C(=O)O
InChIInChI=1S/C17H25NO4/c1-5-10-17(4,16(20)21)18-15(19)11-13-8-6-7-9-14(13)22-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyJEZUKUURZVIFMG-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N-(1-amino-2-methylpropan-2-yl)-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119522145
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
CID 80740415
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 119573037
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619758
2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218421
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43618755
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391
2-[3-(2-fluorophenyl)butanoylamino]-2-methylpentanoic acid
CID 119192367

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid (CID 119192194) is 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)Cc1ccccc1OC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is JEZUKUURZVIFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-10-17(4,16(20)21)18-15(19)11-13-8-6-7-9-14(13)22-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119192194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).