2-[(1-methylpyrazol-3-yl)methylamino]acetic acid

C7H11N3O2 — CID 82868954

IUPAC2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
SMILESCn1ccc(CNCC(=O)O)n1
InChIInChI=1S/C7H11N3O2/c1-10-3-2-6(9-10)4-8-5-7(11)12/h2-3,8H,4-5H2,1H3,(H,11,12)
InChIKeyDPKWHIWJDUTNTI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.41
Rot. Bonds4

About 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid

2-[(1-methylpyrazol-3-yl)methylamino]acetic acid (PubChem CID 82868954) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
PubChem CID82868954
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
SMILESCn1ccc(CNCC(=O)O)n1
InChIInChI=1S/C7H11N3O2/c1-10-3-2-6(9-10)4-8-5-7(11)12/h2-3,8H,4-5H2,1H3,(H,11,12)
InChIKeyDPKWHIWJDUTNTI-UHFFFAOYSA-N
XLogP-0.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid (CID 82868954) is 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid is Cn1ccc(CNCC(=O)O)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
The InChIKey is DPKWHIWJDUTNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-3-2-6(9-10)4-8-5-7(11)12/h2-3,8H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
2-[(1-methylpyrazol-3-yl)methylamino]acetic acid has a molecular weight of 169.18 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylamino]acetic acid is sourced from PubChem (CID 82868954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).