3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid

C14H19NO5 — CID 81368930

IUPAC3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(OC)c(C(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)18)8-15-12(16)10-7-9(19-3)5-6-11(10)20-4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyKVCBZTRMFIDMNR-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.54
Rot. Bonds6

About 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid

3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 81368930) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
PubChem CID81368930
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(OC)c(C(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)18)8-15-12(16)10-7-9(19-3)5-6-11(10)20-4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyKVCBZTRMFIDMNR-UHFFFAOYSA-N
XLogP1.54
TPSA84.86 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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methoxy-2-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249801
3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250353
2,5-dimethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51175190
3-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672701
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
CID 47439309
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid (CID 81368930) is 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid is COc1ccc(OC)c(C(=O)NCC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is KVCBZTRMFIDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,13(17)18)8-15-12(16)10-7-9(19-3)5-6-11(10)20-4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid?
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81368930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).