2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid

C17H22N2O4 — CID 23435681

IUPAC2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
SMILESO=C(O)CN1CCC2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C17H22N2O4/c20-15(21)13-19-11-8-17(23-16(19)22)6-9-18(10-7-17)12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,21)
InChIKeyOEWBPKVGOMLWQV-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.95
Rot. Bonds4

About 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid

2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid (PubChem CID 23435681) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
PubChem CID23435681
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
SMILESO=C(O)CN1CCC2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C17H22N2O4/c20-15(21)13-19-11-8-17(23-16(19)22)6-9-18(10-7-17)12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,21)
InChIKeyOEWBPKVGOMLWQV-UHFFFAOYSA-N
XLogP1.95
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435738
8-benzyl-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;1-benzyl-4-hydroxypiperidine-4-carbonitrile
CID 91558624
2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 105485391
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid
CID 91241746
4-[[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]benzoic acid
CID 70776773
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
(5R)-3-benzyl-7-(2,2-diphenylacetyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125003734
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 167849089
(5S)-3-benzyl-9-[2-(pyrrolidin-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124977860
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705

Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
The IUPAC name of 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid (CID 23435681) is 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid.
What is the SMILES notation for 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
The canonical SMILES for 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid is O=C(O)CN1CCC2(CCN(Cc3ccccc3)CC2)OC1=O.
What is the InChIKey of 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
The InChIKey is OEWBPKVGOMLWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(21)13-19-11-8-17(23-16(19)22)6-9-18(10-7-17)12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,20,21).
What are the key properties of 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid has a molecular weight of 318.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid is sourced from PubChem (CID 23435681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).