2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid

C10H16N2O4 — CID 105485391

IUPAC2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
SMILESCN1CCC2(CCN(CC(=O)O)C(=O)O2)C1
InChIInChI=1S/C10H16N2O4/c1-11-4-2-10(7-11)3-5-12(6-8(13)14)9(15)16-10/h2-7H2,1H3,(H,13,14)
InChIKeyNXBFSYOKOOHWBH-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.01
Rot. Bonds2

About 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid

2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid (PubChem CID 105485391) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
PubChem CID105485391
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
SMILESCN1CCC2(CCN(CC(=O)O)C(=O)O2)C1
InChIInChI=1S/C10H16N2O4/c1-11-4-2-10(7-11)3-5-12(6-8(13)14)9(15)16-10/h2-7H2,1H3,(H,13,14)
InChIKeyNXBFSYOKOOHWBH-UHFFFAOYSA-N
XLogP-0.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-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-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740474
2-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)acetic acid
CID 167727227
2-[2-oxo-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70720267
2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 118974319
2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)acetic acid
CID 92559778
3-(2-ethylbutyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70725296
2-[8-[5-(diaminomethylideneamino)pentanoyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 22975624
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
3-(3-hydroxypropyl)-9-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 105485616
2-(2-oxo-1-oxa-9-thia-3-azaspiro[4.5]decan-3-yl)acetic acid
CID 105489473

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The IUPAC name of 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid (CID 105485391) is 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid is CN1CCC2(CCN(CC(=O)O)C(=O)O2)C1.
What is the InChIKey of 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
The InChIKey is NXBFSYOKOOHWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-11-4-2-10(7-11)3-5-12(6-8(13)14)9(15)16-10/h2-7H2,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid?
2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid is sourced from PubChem (CID 105485391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).