2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid

C15H25N3O3 — CID 83084462

IUPAC2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid
SMILESCn1cc(CN2CCOCC2CC(=O)O)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)14-11(8-17(4)16-14)9-18-5-6-21-10-12(18)7-13(19)20/h8,12H,5-7,9-10H2,1-4H3,(H,19,20)
InChIKeyQDELGNRXJMHFGL-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid

2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid (PubChem CID 83084462) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid
PubChem CID83084462
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid
SMILESCn1cc(CN2CCOCC2CC(=O)O)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)14-11(8-17(4)16-14)9-18-5-6-21-10-12(18)7-13(19)20/h8,12H,5-7,9-10H2,1-4H3,(H,19,20)
InChIKeyQDELGNRXJMHFGL-UHFFFAOYSA-N
XLogP1.39
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl {4-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]morpholin-3-yl}acetate
CID 46982876
ethyl 2-[(3R)-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]morpholin-3-yl]acetate
CID 52377610
ethyl 2-[(3S)-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]morpholin-3-yl]acetate
CID 52377611
3-(1-Methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
CID 64528511
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65196964
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65197110
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65197111
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 65197210
4-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
CID 65197311
4-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
CID 65546685
4-[1-(1,3-Dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66245332
4-[1-(1,3-Dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid
CID 66251564

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid (CID 83084462) is 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid is Cn1cc(CN2CCOCC2CC(=O)O)c(C(C)(C)C)n1.
What is the InChIKey of 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is QDELGNRXJMHFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)14-11(8-17(4)16-14)9-18-5-6-21-10-12(18)7-13(19)20/h8,12H,5-7,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid?
2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 83084462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).