4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid

C14H21NO5 — CID 107835367

IUPAC4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H21NO5/c16-10(12(18)19)5-8-15-11(17)9-14(13(15)20)6-3-1-2-4-7-14/h10,16H,1-9H2,(H,18,19)
InChIKeySMDVIDQXJAPTCH-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.92
Rot. Bonds4

About 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid

4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid (PubChem CID 107835367) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
PubChem CID107835367
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H21NO5/c16-10(12(18)19)5-8-15-11(17)9-14(13(15)20)6-3-1-2-4-7-14/h10,16H,1-9H2,(H,18,19)
InChIKeySMDVIDQXJAPTCH-UHFFFAOYSA-N
XLogP0.92
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
CID 79456834
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711
2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethoxy]acetic acid
CID 79457188
2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
CID 60673991
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64539399
2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107155565
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid?
The IUPAC name of 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid (CID 107835367) is 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid is O=C(O)C(O)CCN1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid?
The InChIKey is SMDVIDQXJAPTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c16-10(12(18)19)5-8-15-11(17)9-14(13(15)20)6-3-1-2-4-7-14/h10,16H,1-9H2,(H,18,19).
What are the key properties of 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid?
4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid has a molecular weight of 283.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid is sourced from PubChem (CID 107835367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).