methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate

C12H20N4O3 — CID 115290159

IUPACmethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C(N)c1cnn(C)c1)C(C)C
InChIInChI=1S/C12H20N4O3/c1-8(2)16(7-10(17)19-4)12(18)11(13)9-5-14-15(3)6-9/h5-6,8,11H,7,13H2,1-4H3
InChIKeyCXXVAOOQPLNUAY-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.17
Rot. Bonds5

About methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate

methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate (PubChem CID 115290159) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
PubChem CID115290159
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Namemethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C(N)c1cnn(C)c1)C(C)C
InChIInChI=1S/C12H20N4O3/c1-8(2)16(7-10(17)19-4)12(18)11(13)9-5-14-15(3)6-9/h5-6,8,11H,7,13H2,1-4H3
InChIKeyCXXVAOOQPLNUAY-UHFFFAOYSA-N
XLogP-0.17
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
CID 113279791
ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
CID 115290153
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290215
2-amino-N-cyclopentyl-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290971
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115290162
2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate (CID 115290159) is methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)C(N)c1cnn(C)c1)C(C)C.
What is the InChIKey of methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is CXXVAOOQPLNUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)16(7-10(17)19-4)12(18)11(13)9-5-14-15(3)6-9/h5-6,8,11H,7,13H2,1-4H3.
What are the key properties of methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 268.32 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 115290159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).