3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid

C14H19NO4 — CID 54926194

IUPAC3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1ccccc1O
InChIInChI=1S/C14H19NO4/c1-14(2,3)15(9-8-12(17)18)13(19)10-6-4-5-7-11(10)16/h4-7,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyRHRBPYVWWHZCCC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.11
Rot. Bonds4

About 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid

3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid (PubChem CID 54926194) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid
PubChem CID54926194
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1ccccc1O
InChIInChI=1S/C14H19NO4/c1-14(2,3)15(9-8-12(17)18)13(19)10-6-4-5-7-11(10)16/h4-7,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyRHRBPYVWWHZCCC-UHFFFAOYSA-N
XLogP2.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl-(2,4-dihydroxybenzoyl)amino]propanoic acid
CID 60825742
3-[tert-butyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60826033
3-[tert-butyl(1H-indole-4-carbonyl)amino]propanoic acid
CID 60826642
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
3-[tert-butyl-(5-chloro-2-methylbenzoyl)amino]propanoic acid
CID 82880950
3-[tert-butyl-(2-chloro-4-methylbenzoyl)amino]propanoic acid
CID 106860500
3-[tert-butyl-(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 60825144
3-[tert-butyl-(2-chloro-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 60826969
3-[tert-butyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60825288
3-[tert-butyl(3-phenylsulfanylpropanoyl)amino]propanoic acid
CID 60826967
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948
butanedioic acid;2-hydroxybenzoic acid
CID 68741404

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid (CID 54926194) is 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)c1ccccc1O.
What is the InChIKey of 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid?
The InChIKey is RHRBPYVWWHZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)15(9-8-12(17)18)13(19)10-6-4-5-7-11(10)16/h4-7,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid?
3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 54926194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).