3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid

C14H19NO5 — CID 62675124

IUPAC3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)NCC(C)C(=O)O)cc(OC)c1C
InChIInChI=1S/C14H19NO5/c1-8(14(17)18)7-15-13(16)10-5-11(19-3)9(2)12(6-10)20-4/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyWXSAWVVKDJIQQB-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.46
Rot. Bonds6

About 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid

3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid (PubChem CID 62675124) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
PubChem CID62675124
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)NCC(C)C(=O)O)cc(OC)c1C
InChIInChI=1S/C14H19NO5/c1-8(14(17)18)7-15-13(16)10-5-11(19-3)9(2)12(6-10)20-4/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyWXSAWVVKDJIQQB-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 119253434
3,5-dimethoxy-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829740
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
CID 30600070
3-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoic acid
CID 104850752
4-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80537436
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid (CID 62675124) is 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid is COc1cc(C(=O)NCC(C)C(=O)O)cc(OC)c1C.
What is the InChIKey of 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is WXSAWVVKDJIQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-8(14(17)18)7-15-13(16)10-5-11(19-3)9(2)12(6-10)20-4/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).