2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid

C14H19NO5 — CID 62818583

IUPAC2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1cccc(OC)c1O)C(C)(C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-5-15(14(2,3)13(18)19)12(17)9-7-6-8-10(20-4)11(9)16/h6-8,16H,5H2,1-4H3,(H,18,19)
InChIKeyVAMCLPBSMGFLNS-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.73
Rot. Bonds5

About 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid

2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid (PubChem CID 62818583) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid
PubChem CID62818583
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1cccc(OC)c1O)C(C)(C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-5-15(14(2,3)13(18)19)12(17)9-7-6-8-10(20-4)11(9)16/h6-8,16H,5H2,1-4H3,(H,18,19)
InChIKeyVAMCLPBSMGFLNS-UHFFFAOYSA-N
XLogP1.73
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 79266531
2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 105063162
2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62823161
2-[ethyl-[(2-methoxyphenyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820544
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
CID 60655994
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
2-[ethyl-[3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpropanoic acid
CID 76949869
2-[ethyl-(3-methyl-2-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 62818222
2-[(2,6-difluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55123816
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid (CID 62818583) is 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1cccc(OC)c1O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is VAMCLPBSMGFLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-5-15(14(2,3)13(18)19)12(17)9-7-6-8-10(20-4)11(9)16/h6-8,16H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-3-methoxybenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).