methyl (2R)-2-amino-2-pyrazol-1-ylacetate

C6H9N3O2 — CID 122173749

IUPACmethyl (2R)-2-amino-2-pyrazol-1-ylacetate
SMILESCOC(=O)[C@H](N)n1cccn1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)5(7)9-4-2-3-8-9/h2-5H,7H2,1H3/t5-/m1/s1
InChIKeyHEKGIZQMFPSNGK-RXMQYKEDSA-N
MW155.16 g/mol
LogP-0.49
Rot. Bonds2

About methyl (2R)-2-amino-2-pyrazol-1-ylacetate

methyl (2R)-2-amino-2-pyrazol-1-ylacetate (PubChem CID 122173749) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-pyrazol-1-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-pyrazol-1-ylacetate
PubChem CID122173749
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl (2R)-2-amino-2-pyrazol-1-ylacetate
SMILESCOC(=O)[C@H](N)n1cccn1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)5(7)9-4-2-3-8-9/h2-5H,7H2,1H3/t5-/m1/s1
InChIKeyHEKGIZQMFPSNGK-RXMQYKEDSA-N
XLogP-0.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-pyrazol-1-ylpropanamide
CID 42576360
2-pyrazol-1-ylpropanamide
CID 25248322
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate
CID 165475420
methyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 63040313
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
2-pyrazol-1-ylpentanehydrazide
CID 83048331
methyl 5-(1-pyrazol-1-ylethyl)-2H-triazole-4-carboxylate
CID 165467048
methyl (2S,3R)-2-amino-3-(triazol-1-yl)butanoate
CID 99737599
4-pyrazol-1-ylpentan-2-one
CID 64696906
N-(2-amino-2-methylpropyl)-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119626027
4-hydroxy-3-pyrazol-1-ylpentanamide
CID 56974979

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-pyrazol-1-ylacetate?
The IUPAC name of methyl (2R)-2-amino-2-pyrazol-1-ylacetate (CID 122173749) is methyl (2R)-2-amino-2-pyrazol-1-ylacetate.
What is the SMILES notation for methyl (2R)-2-amino-2-pyrazol-1-ylacetate?
The canonical SMILES for methyl (2R)-2-amino-2-pyrazol-1-ylacetate is COC(=O)[C@H](N)n1cccn1.
What is the InChIKey of methyl (2R)-2-amino-2-pyrazol-1-ylacetate?
The InChIKey is HEKGIZQMFPSNGK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-6(10)5(7)9-4-2-3-8-9/h2-5H,7H2,1H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-pyrazol-1-ylacetate?
methyl (2R)-2-amino-2-pyrazol-1-ylacetate has a molecular weight of 155.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-pyrazol-1-ylacetate is sourced from PubChem (CID 122173749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).