3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid

C14H17N3O4 — CID 120531915

IUPAC3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)Cc1c[nH]c2ncccc12)C(=O)O
InChIInChI=1S/C14H17N3O4/c1-14(8-21-2,13(19)20)17-11(18)6-9-7-16-12-10(9)4-3-5-15-12/h3-5,7H,6,8H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyKABVKPQJSBCYTP-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.71
Rot. Bonds6

About 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid

3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid (PubChem CID 120531915) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
PubChem CID120531915
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)Cc1c[nH]c2ncccc12)C(=O)O
InChIInChI=1S/C14H17N3O4/c1-14(8-21-2,13(19)20)17-11(18)6-9-7-16-12-10(9)4-3-5-15-12/h3-5,7H,6,8H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyKABVKPQJSBCYTP-UHFFFAOYSA-N
XLogP0.71
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 110002147
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 126812704
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid
CID 120531886
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692
4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
CID 120535022
tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate
CID 107249875
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid (CID 120531915) is 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid is COCC(C)(NC(=O)Cc1c[nH]c2ncccc12)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is KABVKPQJSBCYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(8-21-2,13(19)20)17-11(18)6-9-7-16-12-10(9)4-3-5-15-12/h3-5,7H,6,8H2,1-2H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid?
3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 120531915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).