ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate

C10H17N3O2 — CID 114556106

IUPACethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
SMILESCCOC(=O)CC(N)c1ccnn1CC
InChIInChI=1S/C10H17N3O2/c1-3-13-9(5-6-12-13)8(11)7-10(14)15-4-2/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyVLHZKADVRLFKMK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.86
Rot. Bonds5

About ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate

ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate (PubChem CID 114556106) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
PubChem CID114556106
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
SMILESCCOC(=O)CC(N)c1ccnn1CC
InChIInChI=1S/C10H17N3O2/c1-3-13-9(5-6-12-13)8(11)7-10(14)15-4-2/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyVLHZKADVRLFKMK-UHFFFAOYSA-N
XLogP0.86
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid
CID 114556287
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148342
1-(2-ethylpyrazol-3-yl)but-3-en-1-amine
CID 116660396
methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate
CID 63975901
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
(3S)-3-acetamido-3-(2-ethylpyrazol-3-yl)propanoic acid
CID 104939477
ethyl (3S)-3-amino-3-(2,3,6-trichlorophenyl)propanoate;hydrochloride
CID 171232414
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate?
The IUPAC name of ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate (CID 114556106) is ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate is CCOC(=O)CC(N)c1ccnn1CC.
What is the InChIKey of ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate?
The InChIKey is VLHZKADVRLFKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13-9(5-6-12-13)8(11)7-10(14)15-4-2/h5-6,8H,3-4,7,11H2,1-2H3.
What are the key properties of ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate?
ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate is sourced from PubChem (CID 114556106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).