3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid

C12H19N3O2 — CID 65054497

IUPAC3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCC(c1cnn(C)c1)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H19N3O2/c1-9(10-7-13-14(2)8-10)15(11-3-4-11)6-5-12(16)17/h7-9,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyBXXNXTPWRFKDAK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.42
Rot. Bonds6

About 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid

3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid (PubChem CID 65054497) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid
PubChem CID65054497
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCC(c1cnn(C)c1)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H19N3O2/c1-9(10-7-13-14(2)8-10)15(11-3-4-11)6-5-12(16)17/h7-9,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyBXXNXTPWRFKDAK-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid (CID 65054497) is 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid is CC(c1cnn(C)c1)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid?
The InChIKey is BXXNXTPWRFKDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(10-7-13-14(2)8-10)15(11-3-4-11)6-5-12(16)17/h7-9,11H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid?
3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65054497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).