2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid

C16H23NO4 — CID 107474342

IUPAC2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)9-12(15(20)21)10-17-14(19)8-11-5-4-6-13(18)7-11/h4-7,12,18H,8-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyWXOKBNMJJBGNOM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.19
Rot. Bonds6

About 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid

2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474342) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474342
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)9-12(15(20)21)10-17-14(19)8-11-5-4-6-13(18)7-11/h4-7,12,18H,8-10H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyWXOKBNMJJBGNOM-UHFFFAOYSA-N
XLogP2.19
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]pentanoic acid
CID 107473898
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473834
2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
CID 115760554
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114295749
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid (CID 107474342) is 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is WXOKBNMJJBGNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)9-12(15(20)21)10-17-14(19)8-11-5-4-6-13(18)7-11/h4-7,12,18H,8-10H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid?
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).