2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid

C13H17NO4 — CID 80740415

IUPAC2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1ccccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-13(2,12(17)18)14-11(16)8-9-6-4-5-7-10(9)15/h4-7,15H,3,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyJJNQSZZSNSETCF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.30
Rot. Bonds5

About 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid

2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 80740415) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
PubChem CID80740415
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1ccccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-13(2,12(17)18)14-11(16)8-9-6-4-5-7-10(9)15/h4-7,15H,3,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyJJNQSZZSNSETCF-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
CID 79793673
2-[[2-(2,6-dimethylphenyl)acetyl]amino]-2-methylbutanoic acid
CID 120686276
2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 79800784
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 79792946
2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119192194
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 97161034
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789880
2-(3-benzamidopropanoylamino)-2-methylbutanoic acid
CID 79789289
2-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 79793085
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid (CID 80740415) is 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)Cc1ccccc1O)C(=O)O.
What is the InChIKey of 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is JJNQSZZSNSETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-13(2,12(17)18)14-11(16)8-9-6-4-5-7-10(9)15/h4-7,15H,3,8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid?
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80740415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).