2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid

C11H17N3O2 — CID 79855142

IUPAC2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid
SMILESCC1(C)CCCc2nn(CC(=O)O)c(N)c21
InChIInChI=1S/C11H17N3O2/c1-11(2)5-3-4-7-9(11)10(12)14(13-7)6-8(15)16/h3-6,12H2,1-2H3,(H,15,16)
InChIKeyDFJFGUKLLAXGLU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.16
Rot. Bonds2

About 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid

2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid (PubChem CID 79855142) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid
PubChem CID79855142
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid
SMILESCC1(C)CCCc2nn(CC(=O)O)c(N)c21
InChIInChI=1S/C11H17N3O2/c1-11(2)5-3-4-7-9(11)10(12)14(13-7)6-8(15)16/h3-6,12H2,1-2H3,(H,15,16)
InChIKeyDFJFGUKLLAXGLU-UHFFFAOYSA-N
XLogP1.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid?
The IUPAC name of 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid (CID 79855142) is 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid is CC1(C)CCCc2nn(CC(=O)O)c(N)c21.
What is the InChIKey of 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid?
The InChIKey is DFJFGUKLLAXGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2)5-3-4-7-9(11)10(12)14(13-7)6-8(15)16/h3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid?
2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4,4-dimethyl-6,7-dihydro-5H-indazol-2-yl)acetic acid is sourced from PubChem (CID 79855142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).