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

C19H29N3O5 — CID 70720267

IUPAC2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(C(=O)C3(N4CCCC4)CCCC3)CC2)OC1=O
InChIInChI=1S/C19H29N3O5/c23-15(24)13-21-14-18(27-17(21)26)7-11-20(12-8-18)16(25)19(5-1-2-6-19)22-9-3-4-10-22/h1-14H2,(H,23,24)
InChIKeyMUVGDIHQQXOHJH-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.29
Rot. Bonds4

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

2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 70720267) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
PubChem CID70720267
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1CC2(CCN(C(=O)C3(N4CCCC4)CCCC3)CC2)OC1=O
InChIInChI=1S/C19H29N3O5/c23-15(24)13-21-14-18(27-17(21)26)7-11-20(12-8-18)16(25)19(5-1-2-6-19)22-9-3-4-10-22/h1-14H2,(H,23,24)
InChIKeyMUVGDIHQQXOHJH-UHFFFAOYSA-N
XLogP1.29
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 105485391
2-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)acetic acid
CID 167727227
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
2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid
CID 105489473
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 167849089
2-[2-oxo-8-(2-pyrrol-1-ylpentanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70758248
2-[2-oxo-8-(quinoxaline-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70729953
2-[8-[4-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 59043083
2-[8-[6-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-6-oxohexanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 173242663
8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid (CID 70720267) is 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is O=C(O)CN1CC2(CCN(C(=O)C3(N4CCCC4)CCCC3)CC2)OC1=O.
What is the InChIKey of 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
The InChIKey is MUVGDIHQQXOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c23-15(24)13-21-14-18(27-17(21)26)7-11-20(12-8-18)16(25)19(5-1-2-6-19)22-9-3-4-10-22/h1-14H2,(H,23,24).
What are the key properties of 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid?
2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 379.46 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 70720267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).