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

C9H15N3O2 — CID 115288979

IUPACpropan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
SMILESCC(C)OC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C9H15N3O2/c1-6(2)14-9(13)8(10)7-4-11-12(3)5-7/h4-6,8H,10H2,1-3H3
InChIKeyCYHJIUQETMRGBP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.37
Rot. Bonds3

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

propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate (PubChem CID 115288979) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
PubChem CID115288979
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namepropan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
SMILESCC(C)OC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C9H15N3O2/c1-6(2)14-9(13)8(10)7-4-11-12(3)5-7/h4-6,8H,10H2,1-3H3
InChIKeyCYHJIUQETMRGBP-UHFFFAOYSA-N
XLogP0.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
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
cyclopropylmethyl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288981
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
(3,4-dimethylcyclohexyl) 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115289019
1-amino-6-methyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116604936
methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
CID 115290159
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
CID 113279791
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The IUPAC name of propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate (CID 115288979) is propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate is CC(C)OC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
The InChIKey is CYHJIUQETMRGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)14-9(13)8(10)7-4-11-12(3)5-7/h4-6,8H,10H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate?
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate has a molecular weight of 197.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate is sourced from PubChem (CID 115288979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).