[8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid

C15H21N3O7 — CID 135238379

IUPAC[8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1COC2(CCN(C(=O)ON3C(=O)CCC3=O)CC2)C1
InChIInChI=1S/C15H21N3O7/c19-11-1-2-12(20)18(11)25-14(23)17-5-3-15(4-6-17)7-10(9-24-15)8-16-13(21)22/h10,16H,1-9H2,(H,21,22)
InChIKeyAIEZPTGPVBXGTI-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.33
Rot. Bonds3

About [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid

[8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid (PubChem CID 135238379) has the molecular formula C15H21N3O7 and a molecular weight of 355.35 g/mol. Its IUPAC name is [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid
PubChem CID135238379
Molecular FormulaC15H21N3O7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Name[8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1COC2(CCN(C(=O)ON3C(=O)CCC3=O)CC2)C1
InChIInChI=1S/C15H21N3O7/c19-11-1-2-12(20)18(11)25-14(23)17-5-3-15(4-6-17)7-10(9-24-15)8-16-13(21)22/h10,16H,1-9H2,(H,21,22)
InChIKeyAIEZPTGPVBXGTI-UHFFFAOYSA-N
XLogP0.33
TPSA125.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-[(4-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 135238518
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950
N-(cyclopropylmethyl)-8-(1,2-oxazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 131646854
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
propan-2-yl 3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 172784556
1-(2,5-dioxopyrrolidin-1-yl)-4-[[(2-iodoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 66615878
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 146688522
ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
CID 123369581
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344

Frequently Asked Questions

What is the IUPAC name of [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid?
The IUPAC name of [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid (CID 135238379) is [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid.
What is the SMILES notation for [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid?
The canonical SMILES for [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid is O=C(O)NCC1COC2(CCN(C(=O)ON3C(=O)CCC3=O)CC2)C1.
What is the InChIKey of [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid?
The InChIKey is AIEZPTGPVBXGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O7/c19-11-1-2-12(20)18(11)25-14(23)17-5-3-15(4-6-17)7-10(9-24-15)8-16-13(21)22/h10,16H,1-9H2,(H,21,22).
What are the key properties of [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid?
[8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid has a molecular weight of 355.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamic acid is sourced from PubChem (CID 135238379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).