methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate

C14H21N3O2 — CID 116972034

IUPACmethyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccc(C2CCCC2)nn1
InChIInChI=1S/C14H21N3O2/c1-14(2,13(18)19-3)15-12-9-8-11(16-17-12)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyRXIFSBSSQDWTFV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate

methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate (PubChem CID 116972034) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
PubChem CID116972034
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccc(C2CCCC2)nn1
InChIInChI=1S/C14H21N3O2/c1-14(2,13(18)19-3)15-12-9-8-11(16-17-12)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyRXIFSBSSQDWTFV-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate (CID 116972034) is methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate is COC(=O)C(C)(C)Nc1ccc(C2CCCC2)nn1.
What is the InChIKey of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
The InChIKey is RXIFSBSSQDWTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,13(18)19-3)15-12-9-8-11(16-17-12)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 116972034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).