2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid

C12H16N2O5 — CID 43424660

IUPAC2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H16N2O5/c15-8(13-6-10(17)18)7-14-9(16)5-12(11(14)19)3-1-2-4-12/h1-7H2,(H,13,15)(H,17,18)
InChIKeyPRYWAWKBSHOKSL-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.49
Rot. Bonds4

About 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid

2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid (PubChem CID 43424660) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid
PubChem CID43424660
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H16N2O5/c15-8(13-6-10(17)18)7-14-9(16)5-12(11(14)19)3-1-2-4-12/h1-7H2,(H,13,15)(H,17,18)
InChIKeyPRYWAWKBSHOKSL-UHFFFAOYSA-N
XLogP-0.49
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 75402678
2-[2-[2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 166506399
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-propan-2-ylacetamide
CID 9378942
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(2-methoxyethyl)acetamide
CID 9378946
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide
CID 9378952
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(2-methylpropyl)acetamide
CID 9378955
methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate
CID 9378975
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 9378986
2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]-N-propylacetamide
CID 9378993
2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]-N-ethylacetamide
CID 9378997
2-[[2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetamide
CID 9378999
2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9379000

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid (CID 43424660) is 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid?
The InChIKey is PRYWAWKBSHOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-8(13-6-10(17)18)7-14-9(16)5-12(11(14)19)3-1-2-4-12/h1-7H2,(H,13,15)(H,17,18).
What are the key properties of 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid?
2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43424660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).