2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid

C17H26N4O3 — CID 70782523

IUPAC2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
SMILESCCn1cc(CN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cn1
InChIInChI=1S/C17H26N4O3/c1-2-21-11-14(9-18-21)10-19-7-5-17(6-8-19)4-3-15(22)20(13-17)12-16(23)24/h9,11H,2-8,10,12-13H2,1H3,(H,23,24)
InChIKeyRHQUWUTWWIJBTA-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.19
Rot. Bonds5

About 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid

2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid (PubChem CID 70782523) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
PubChem CID70782523
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
SMILESCCn1cc(CN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cn1
InChIInChI=1S/C17H26N4O3/c1-2-21-11-14(9-18-21)10-19-7-5-17(6-8-19)4-3-15(22)20(13-17)12-16(23)24/h9,11H,2-8,10,12-13H2,1H3,(H,23,24)
InChIKeyRHQUWUTWWIJBTA-UHFFFAOYSA-N
XLogP1.19
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid with MolForge

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Related Compounds

2-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98895009
2-[9-[(1-ethylpyrazol-3-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70769966
1-[(3R)-8-[(1-ethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124952937
8-[(1-ethylpyrazol-4-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72920947
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
2-[3-oxo-9-(quinolin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70775919
methyl 3-[4-[[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]pyrazol-1-yl]propanoate
CID 96572132
2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
methyl 3-[4-[[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]pyrazol-1-yl]propanoate
CID 72902704

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The IUPAC name of 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid (CID 70782523) is 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid.
What is the SMILES notation for 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The canonical SMILES for 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid is CCn1cc(CN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cn1.
What is the InChIKey of 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
The InChIKey is RHQUWUTWWIJBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-21-11-14(9-18-21)10-19-7-5-17(6-8-19)4-3-15(22)20(13-17)12-16(23)24/h9,11H,2-8,10,12-13H2,1H3,(H,23,24).
What are the key properties of 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid?
2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid is sourced from PubChem (CID 70782523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).