2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid

C17H24N2O5 — CID 119358737

IUPAC2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
SMILESCOc1ccccc1C(=O)NC(C(=O)N(C)C(C)C(=O)O)C(C)C
InChIInChI=1S/C17H24N2O5/c1-10(2)14(16(21)19(4)11(3)17(22)23)18-15(20)12-8-6-7-9-13(12)24-5/h6-11,14H,1-5H3,(H,18,20)(H,22,23)
InChIKeyUJNDURBIEYOAAS-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.38
Rot. Bonds7

About 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid

2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid (PubChem CID 119358737) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
PubChem CID119358737
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
SMILESCOc1ccccc1C(=O)NC(C(=O)N(C)C(C)C(=O)O)C(C)C
InChIInChI=1S/C17H24N2O5/c1-10(2)14(16(21)19(4)11(3)17(22)23)18-15(20)12-8-6-7-9-13(12)24-5/h6-11,14H,1-5H3,(H,18,20)(H,22,23)
InChIKeyUJNDURBIEYOAAS-UHFFFAOYSA-N
XLogP1.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]propanoic acid
CID 119358802
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
2-methoxy-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxobutan-2-yl]benzamide
CID 9205124
2-[[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359079
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847927
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
cis-(1R,3S)-3-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120679021
N-[(2S)-1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55935138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid (CID 119358737) is 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid is COc1ccccc1C(=O)NC(C(=O)N(C)C(C)C(=O)O)C(C)C.
What is the InChIKey of 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid?
The InChIKey is UJNDURBIEYOAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-10(2)14(16(21)19(4)11(3)17(22)23)18-15(20)12-8-6-7-9-13(12)24-5/h6-11,14H,1-5H3,(H,18,20)(H,22,23).
What are the key properties of 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid?
2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid has a molecular weight of 336.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).