cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate

C8H11N3O2 — CID 129418635

IUPACcis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(N)C[C@@H]1c1cn[nH]c1
InChIInChI=1S/C8H11N3O2/c1-13-7(12)8(9)2-6(8)5-3-10-11-4-5/h3-4,6H,2,9H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeyUDVZDTASVJKKQK-HTRCEHHLSA-N
MW181.19 g/mol
LogP-0.23
Rot. Bonds2

About cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate

cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate (PubChem CID 129418635) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate
PubChem CID129418635
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namecis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(N)C[C@@H]1c1cn[nH]c1
InChIInChI=1S/C8H11N3O2/c1-13-7(12)8(9)2-6(8)5-3-10-11-4-5/h3-4,6H,2,9H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKeyUDVZDTASVJKKQK-HTRCEHHLSA-N
XLogP-0.23
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate (CID 129418635) is cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate is COC(=O)[C@@]1(N)C[C@@H]1c1cn[nH]c1.
What is the InChIKey of cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate?
The InChIKey is UDVZDTASVJKKQK-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-7(12)8(9)2-6(8)5-3-10-11-4-5/h3-4,6H,2,9H2,1H3,(H,10,11)/t6-,8-/m1/s1.
What are the key properties of cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate?
cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate has a molecular weight of 181.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 129418635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).