ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate

C11H19N3O3 — CID 103261820

IUPACethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate
SMILESCCOC(=O)CC(O)CNCc1ccn(C)n1
InChIInChI=1S/C11H19N3O3/c1-3-17-11(16)6-10(15)8-12-7-9-4-5-14(2)13-9/h4-5,10,12,15H,3,6-8H2,1-2H3
InChIKeyFYKARRHQGJYFSJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.18
Rot. Bonds7

About ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate

ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate (PubChem CID 103261820) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate
PubChem CID103261820
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate
SMILESCCOC(=O)CC(O)CNCc1ccn(C)n1
InChIInChI=1S/C11H19N3O3/c1-3-17-11(16)6-10(15)8-12-7-9-4-5-14(2)13-9/h4-5,10,12,15H,3,6-8H2,1-2H3
InChIKeyFYKARRHQGJYFSJ-UHFFFAOYSA-N
XLogP-0.18
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-hydroxy-4-[2-(1-methylpyrazol-3-yl)ethylamino]butanoate
CID 114144039
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873087
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
benzyl 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanoate
CID 106484113
3-[(1-methylpyrazol-3-yl)methylamino]-2-phenylpropanoic acid
CID 82881676
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate (CID 103261820) is ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate is CCOC(=O)CC(O)CNCc1ccn(C)n1.
What is the InChIKey of ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate?
The InChIKey is FYKARRHQGJYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-17-11(16)6-10(15)8-12-7-9-4-5-14(2)13-9/h4-5,10,12,15H,3,6-8H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate?
ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate has a molecular weight of 241.29 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate is sourced from PubChem (CID 103261820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).