2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid

C10H15N3O5 — CID 106528110

IUPAC2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
SMILESNC(CN1C(=O)NC2(CCOCC2)C1=O)C(=O)O
InChIInChI=1S/C10H15N3O5/c11-6(7(14)15)5-13-8(16)10(12-9(13)17)1-3-18-4-2-10/h6H,1-5,11H2,(H,12,17)(H,14,15)
InChIKeyHNFMDEANKJNKKP-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.50
Rot. Bonds3

About 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid

2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid (PubChem CID 106528110) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
PubChem CID106528110
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
SMILESNC(CN1C(=O)NC2(CCOCC2)C1=O)C(=O)O
InChIInChI=1S/C10H15N3O5/c11-6(7(14)15)5-13-8(16)10(12-9(13)17)1-3-18-4-2-10/h6H,1-5,11H2,(H,12,17)(H,14,15)
InChIKeyHNFMDEANKJNKKP-UHFFFAOYSA-N
XLogP-1.50
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103736328
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-ethylbut-2-enoic acid
CID 106528091
3-(3-cyclopentyl-2-hydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 154743690
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528236
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)butanehydrazide
CID 106528283
5-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)pentanehydrazide
CID 106528280
hydrazinyl 3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 106528282
3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924546
3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528289
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220
3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528215

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid (CID 106528110) is 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid is NC(CN1C(=O)NC2(CCOCC2)C1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
The InChIKey is HNFMDEANKJNKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c11-6(7(14)15)5-13-8(16)10(12-9(13)17)1-3-18-4-2-10/h6H,1-5,11H2,(H,12,17)(H,14,15).
What are the key properties of 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid has a molecular weight of 257.25 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid is sourced from PubChem (CID 106528110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).