2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

C17H21N3O6 — CID 167849089

IUPAC2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(C(=O)CCn3ccccc3=O)CC2)OC1=O
InChIInChI=1S/C17H21N3O6/c21-13-3-1-2-7-18(13)8-4-14(22)19-9-5-17(6-10-19)12-20(11-15(23)24)16(25)26-17/h1-3,7H,4-6,8-12H2,(H,23,24)
InChIKeyJPQWQNMQNWYEME-UHFFFAOYSA-N
MW363.37 g/mol
LogP0.14
Rot. Bonds5

About 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid

2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 167849089) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
PubChem CID167849089
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(C(=O)CCn3ccccc3=O)CC2)OC1=O
InChIInChI=1S/C17H21N3O6/c21-13-3-1-2-7-18(13)8-4-14(22)19-9-5-17(6-10-19)12-20(11-15(23)24)16(25)26-17/h1-3,7H,4-6,8-12H2,(H,23,24)
InChIKeyJPQWQNMQNWYEME-UHFFFAOYSA-N
XLogP0.14
TPSA109.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[5-(diaminomethylideneamino)pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 22975624
1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 103726896
2-[2-oxo-8-(2-pyrrol-1-ylpentanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70758248
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
1-[3-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 155500037
2-[8-(2,3-dihydro-1-benzothiophene-2-carbonyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70707276
3-[2-oxo-2-[2-oxo-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]imidazolidine-2,4-dione
CID 70746629
8-(3-methylsulfanylpropanoyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779840
[2-oxo-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]urea
CID 70772627
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70720267
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (CID 167849089) is 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is O=C(O)CN1CC2(CCN(C(=O)CCn3ccccc3=O)CC2)OC1=O.
What is the InChIKey of 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The InChIKey is JPQWQNMQNWYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c21-13-3-1-2-7-18(13)8-4-14(22)19-9-5-17(6-10-19)12-20(11-15(23)24)16(25)26-17/h1-3,7H,4-6,8-12H2,(H,23,24).
What are the key properties of 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 363.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 167849089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).