2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid

C14H19NO5 — CID 103018289

IUPAC2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
SMILESCOC(C)(C)CC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,20-3)8-12(17)15(9-13(18)19)10-4-6-11(16)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,18,19)
InChIKeyKQJVMIYYXHMCBM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.62
Rot. Bonds6

About 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid

2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid (PubChem CID 103018289) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
PubChem CID103018289
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
SMILESCOC(C)(C)CC(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,20-3)8-12(17)15(9-13(18)19)10-4-6-11(16)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,18,19)
InChIKeyKQJVMIYYXHMCBM-UHFFFAOYSA-N
XLogP1.62
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid (CID 103018289) is 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid is COC(C)(C)CC(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
The InChIKey is KQJVMIYYXHMCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,20-3)8-12(17)15(9-13(18)19)10-4-6-11(16)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid?
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid is sourced from PubChem (CID 103018289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).