4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid

C11H17N3O2 — CID 84688417

IUPAC4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
SMILESNC(CCC(=O)O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H17N3O2/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(7)13-14-11/h8H,1-6,12H2,(H,13,14)(H,15,16)
InChIKeyKFXUVANQIVANFG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.15
Rot. Bonds4

About 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid

4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid (PubChem CID 84688417) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
PubChem CID84688417
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
SMILESNC(CCC(=O)O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C11H17N3O2/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(7)13-14-11/h8H,1-6,12H2,(H,13,14)(H,15,16)
InChIKeyKFXUVANQIVANFG-UHFFFAOYSA-N
XLogP1.15
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The IUPAC name of 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid (CID 84688417) is 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid is NC(CCC(=O)O)c1n[nH]c2c1CCCC2.
What is the InChIKey of 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
The InChIKey is KFXUVANQIVANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-8(5-6-10(15)16)11-7-3-1-2-4-9(7)13-14-11/h8H,1-6,12H2,(H,13,14)(H,15,16).
What are the key properties of 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid?
4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid is sourced from PubChem (CID 84688417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).