ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate

C14H24N4O3 — CID 115290153

IUPACethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C14H24N4O3/c1-5-21-12(19)9-18(7-10(2)3)14(20)13(15)11-6-16-17(4)8-11/h6,8,10,13H,5,7,9,15H2,1-4H3
InChIKeyOVTZYCZNMURRHU-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.47
Rot. Bonds7

About ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate

ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate (PubChem CID 115290153) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
PubChem CID115290153
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C14H24N4O3/c1-5-21-12(19)9-18(7-10(2)3)14(20)13(15)11-6-16-17(4)8-11/h6,8,10,13H,5,7,9,15H2,1-4H3
InChIKeyOVTZYCZNMURRHU-UHFFFAOYSA-N
XLogP0.47
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(1-methyl-1H-pyrazol-4-yl)-2-(methylamino)acetate dihydrochloride
CID 155821601
Ethyl 2-[cyclohexyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]acetate
CID 72009342
N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 72912040
(2R)-N-butyl-N-ethyl-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetamide
CID 95789032
tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate
CID 99787124
(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone
CID 164633430
Ethyl 2-(1-methyl-1H-pyrazol-4-yl)-2-(methylamino)acetate
CID 60787917
2-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 105909974
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107479452
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113279833
2-amino-N-butyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115290151
2-amino-2-(1-methylpyrazol-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 115290152

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate (CID 115290153) is ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate?
The InChIKey is OVTZYCZNMURRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-21-12(19)9-18(7-10(2)3)14(20)13(15)11-6-16-17(4)8-11/h6,8,10,13H,5,7,9,15H2,1-4H3.
What are the key properties of ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate?
ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate has a molecular weight of 296.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 115290153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).