2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid

C14H19NO5 — CID 79266531

IUPAC2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)O)C(C)(C)C)c1O
InChIInChI=1S/C14H19NO5/c1-14(2,3)15(8-11(16)17)13(19)9-6-5-7-10(20-4)12(9)18/h5-7,18H,8H2,1-4H3,(H,16,17)
InChIKeyNWUWFLQHQGJEHE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.73
Rot. Bonds4

About 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid

2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid (PubChem CID 79266531) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
PubChem CID79266531
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(C(=O)N(CC(=O)O)C(C)(C)C)c1O
InChIInChI=1S/C14H19NO5/c1-14(2,3)15(8-11(16)17)13(19)9-6-5-7-10(20-4)12(9)18/h5-7,18H,8H2,1-4H3,(H,16,17)
InChIKeyNWUWFLQHQGJEHE-UHFFFAOYSA-N
XLogP1.73
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62818583
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
CID 105063247
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-[tert-butyl-(2-methyl-3-nitrobenzoyl)amino]acetic acid
CID 79264889
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
N-cyclopropyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 43576768
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
2-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]acetic acid
CID 136783093
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid (CID 79266531) is 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid is COc1cccc(C(=O)N(CC(=O)O)C(C)(C)C)c1O.
What is the InChIKey of 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The InChIKey is NWUWFLQHQGJEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)15(8-11(16)17)13(19)9-6-5-7-10(20-4)12(9)18/h5-7,18H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid?
2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 79266531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).