(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid

C17H24N2O6 — CID 119943103

IUPAC(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@@H](C)C(=O)O)cc1OC
InChIInChI=1S/C17H24N2O6/c1-9(15(21)22)18-14(20)10-7-12(24-5)13(25-6)8-11(10)19-16(23)17(2,3)4/h7-9H,1-6H3,(H,18,20)(H,19,23)(H,21,22)/t9-/m0/s1
InChIKeyLUVYOJPNDOOHDI-VIFPVBQESA-N
MW352.39 g/mol
LogP1.89
Rot. Bonds6

About (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid

(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid (PubChem CID 119943103) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
PubChem CID119943103
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@@H](C)C(=O)O)cc1OC
InChIInChI=1S/C17H24N2O6/c1-9(15(21)22)18-14(20)10-7-12(24-5)13(25-6)8-11(10)19-16(23)17(2,3)4/h7-9H,1-6H3,(H,18,20)(H,19,23)(H,21,22)/t9-/m0/s1
InChIKeyLUVYOJPNDOOHDI-VIFPVBQESA-N
XLogP1.89
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]-methylamino]propanoic acid
CID 119358791
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119630528
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
(2S)-2-[(4,5-dichloro-2-methoxybenzoyl)amino]propanoic acid
CID 119942883
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
CID 141326742
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454167
N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119605106
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate
CID 19849627
(3S,4S)-1-[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112629
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724694

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid (CID 119943103) is (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid is COc1cc(NC(=O)C(C)(C)C)c(C(=O)N[C@@H](C)C(=O)O)cc1OC.
What is the InChIKey of (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid?
The InChIKey is LUVYOJPNDOOHDI-VIFPVBQESA-N. The full InChI is InChI=1S/C17H24N2O6/c1-9(15(21)22)18-14(20)10-7-12(24-5)13(25-6)8-11(10)19-16(23)17(2,3)4/h7-9H,1-6H3,(H,18,20)(H,19,23)(H,21,22)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid?
(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid is sourced from PubChem (CID 119943103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).