2-amino-3-(2-methylindazol-3-yl)propanoic acid

C11H13N3O2 — CID 83440834

IUPAC2-amino-3-(2-methylindazol-3-yl)propanoic acid
SMILESCn1nc2ccccc2c1CC(N)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-14-10(6-8(12)11(15)16)7-4-2-3-5-9(7)13-14/h2-5,8H,6,12H2,1H3,(H,15,16)
InChIKeyIRNJNDFDUGJAFV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-3-(2-methylindazol-3-yl)propanoic acid

2-amino-3-(2-methylindazol-3-yl)propanoic acid (PubChem CID 83440834) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-3-(2-methylindazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methylindazol-3-yl)propanoic acid
PubChem CID83440834
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-3-(2-methylindazol-3-yl)propanoic acid
SMILESCn1nc2ccccc2c1CC(N)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-14-10(6-8(12)11(15)16)7-4-2-3-5-9(7)13-14/h2-5,8H,6,12H2,1H3,(H,15,16)
InChIKeyIRNJNDFDUGJAFV-UHFFFAOYSA-N
XLogP0.53
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylindazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-methylindazol-3-yl)propanoic acid (CID 83440834) is 2-amino-3-(2-methylindazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methylindazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methylindazol-3-yl)propanoic acid is Cn1nc2ccccc2c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-methylindazol-3-yl)propanoic acid?
The InChIKey is IRNJNDFDUGJAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14-10(6-8(12)11(15)16)7-4-2-3-5-9(7)13-14/h2-5,8H,6,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(2-methylindazol-3-yl)propanoic acid?
2-amino-3-(2-methylindazol-3-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylindazol-3-yl)propanoic acid is sourced from PubChem (CID 83440834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).