3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid

C14H17N3O3 — CID 119191644

IUPAC3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-2-17(8-7-14(19)20)13(18)9-12-10-5-3-4-6-11(10)15-16-12/h3-6H,2,7-9H2,1H3,(H,15,16)(H,19,20)
InChIKeyMYTNRWANCQPXTB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.43
Rot. Bonds6

About 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid

3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 119191644) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid
PubChem CID119191644
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-2-17(8-7-14(19)20)13(18)9-12-10-5-3-4-6-11(10)15-16-12/h3-6H,2,7-9H2,1H3,(H,15,16)(H,19,20)
InChIKeyMYTNRWANCQPXTB-UHFFFAOYSA-N
XLogP1.43
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid (CID 119191644) is 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is MYTNRWANCQPXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-17(8-7-14(19)20)13(18)9-12-10-5-3-4-6-11(10)15-16-12/h3-6H,2,7-9H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid?
3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119191644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).