2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid

C10H15N3O2 — CID 84780605

IUPAC2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid
SMILESNC(C(=O)O)c1ccnn1CC1CCC1
InChIInChI=1S/C10H15N3O2/c11-9(10(14)15)8-4-5-12-13(8)6-7-2-1-3-7/h4-5,7,9H,1-3,6,11H2,(H,14,15)
InChIKeyWMPJAWMJRXHGBO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid

2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid (PubChem CID 84780605) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid
PubChem CID84780605
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid
SMILESNC(C(=O)O)c1ccnn1CC1CCC1
InChIInChI=1S/C10H15N3O2/c11-9(10(14)15)8-4-5-12-13(8)6-7-2-1-3-7/h4-5,7,9H,1-3,6,11H2,(H,14,15)
InChIKeyWMPJAWMJRXHGBO-UHFFFAOYSA-N
XLogP0.77
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid (CID 84780605) is 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid is NC(C(=O)O)c1ccnn1CC1CCC1.
What is the InChIKey of 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid?
The InChIKey is WMPJAWMJRXHGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9(10(14)15)8-4-5-12-13(8)6-7-2-1-3-7/h4-5,7,9H,1-3,6,11H2,(H,14,15).
What are the key properties of 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid?
2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 84780605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).