2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid

C14H17N3O3 — CID 122107519

IUPAC2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(14(19)20)16(2)13(18)8-11-10-6-4-5-7-12(10)17(3)15-11/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyKLAOEOINFMSKQQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.05
Rot. Bonds4

About 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid

2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 122107519) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
PubChem CID122107519
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(14(19)20)16(2)13(18)8-11-10-6-4-5-7-12(10)17(3)15-11/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyKLAOEOINFMSKQQ-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid (CID 122107519) is 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is KLAOEOINFMSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(14(19)20)16(2)13(18)8-11-10-6-4-5-7-12(10)17(3)15-11/h4-7,9H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 122107519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).