2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid

C12H19N3O2 — CID 64771325

IUPAC2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCC(C)n1ccc(CN(CC(=O)O)C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-6-5-10(13-15)7-14(8-12(16)17)11-3-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyWRIFQPRHPFUBKA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds6

About 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid

2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid (PubChem CID 64771325) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid
PubChem CID64771325
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCC(C)n1ccc(CN(CC(=O)O)C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-6-5-10(13-15)7-14(8-12(16)17)11-3-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyWRIFQPRHPFUBKA-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid (CID 64771325) is 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid is CC(C)n1ccc(CN(CC(=O)O)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid?
The InChIKey is WRIFQPRHPFUBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-6-5-10(13-15)7-14(8-12(16)17)11-3-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 64771325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).