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

C9H13N3O2 — CID 103256808

IUPAC2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid
SMILESCn1ccc(NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C9H13N3O2/c1-12-5-4-7(11-12)10-8(9(13)14)6-2-3-6/h4-6,8H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyBSHYRGZZHZRLLO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.70
Rot. Bonds4

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

2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid (PubChem CID 103256808) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid
PubChem CID103256808
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid
SMILESCn1ccc(NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C9H13N3O2/c1-12-5-4-7(11-12)10-8(9(13)14)6-2-3-6/h4-6,8H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyBSHYRGZZHZRLLO-UHFFFAOYSA-N
XLogP0.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid (CID 103256808) is 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid is Cn1ccc(NC(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid?
The InChIKey is BSHYRGZZHZRLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-5-4-7(11-12)10-8(9(13)14)6-2-3-6/h4-6,8H,2-3H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid?
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]acetic acid is sourced from PubChem (CID 103256808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).