cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate

C10H15N3O2 — CID 115288981

IUPACcyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
SMILESCn1cc(C(N)C(=O)OCC2CC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-5-8(4-12-13)9(11)10(14)15-6-7-2-3-7/h4-5,7,9H,2-3,6,11H2,1H3
InChIKeyUIXUPVQNVYXCNH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.37
Rot. Bonds4

About cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate

cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate (PubChem CID 115288981) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
PubChem CID115288981
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namecyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
SMILESCn1cc(C(N)C(=O)OCC2CC2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-5-8(4-12-13)9(11)10(14)15-6-7-2-3-7/h4-5,7,9H,2-3,6,11H2,1H3
InChIKeyUIXUPVQNVYXCNH-UHFFFAOYSA-N
XLogP0.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115289019
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
CID 115290589
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 115290799
2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290762
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
1-(cyclohexylmethoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 62384395

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The IUPAC name of cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate (CID 115288981) is cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate.
What is the SMILES notation for cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The canonical SMILES for cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate is Cn1cc(C(N)C(=O)OCC2CC2)cn1.
What is the InChIKey of cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The InChIKey is UIXUPVQNVYXCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-8(4-12-13)9(11)10(14)15-6-7-2-3-7/h4-5,7,9H,2-3,6,11H2,1H3.
What are the key properties of cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate has a molecular weight of 209.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate is sourced from PubChem (CID 115288981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).