2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid

C7H11N3O2 — CID 75355602

IUPAC2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(C(N)C(=O)O)cnn1C
InChIInChI=1S/C7H11N3O2/c1-4-5(3-9-10(4)2)6(8)7(11)12/h3,6H,8H2,1-2H3,(H,11,12)
InChIKeyIXBXTYHVOPUUSF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.19
Rot. Bonds2

About 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid

2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid (PubChem CID 75355602) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
PubChem CID75355602
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(C(N)C(=O)O)cnn1C
InChIInChI=1S/C7H11N3O2/c1-4-5(3-9-10(4)2)6(8)7(11)12/h3,6H,8H2,1-2H3,(H,11,12)
InChIKeyIXBXTYHVOPUUSF-UHFFFAOYSA-N
XLogP-0.19
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid (CID 75355602) is 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid is Cc1c(C(N)C(=O)O)cnn1C.
What is the InChIKey of 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The InChIKey is IXBXTYHVOPUUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5(3-9-10(4)2)6(8)7(11)12/h3,6H,8H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid?
2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,5-dimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 75355602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).