methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate

C10H15N3O4 — CID 139615178

IUPACmethyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate
SMILESCCN1C[C@]2(C[C@H]1C(=O)OC)NC(=O)NC2=O
InChIInChI=1S/C10H15N3O4/c1-3-13-5-10(4-6(13)7(14)17-2)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16)/t6-,10-/m0/s1
InChIKeyOSQFLOSVNMXHQO-WKEGUHRASA-N
MW241.25 g/mol
LogP-1.17
Rot. Bonds2

About methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate

methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate (PubChem CID 139615178) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Namemethyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate
PubChem CID139615178
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate
SMILESCCN1C[C@]2(C[C@H]1C(=O)OC)NC(=O)NC2=O
InChIInChI=1S/C10H15N3O4/c1-3-13-5-10(4-6(13)7(14)17-2)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16)/t6-,10-/m0/s1
InChIKeyOSQFLOSVNMXHQO-WKEGUHRASA-N
XLogP-1.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate with MolForge

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Related Compounds

8-O-benzyl 7-O-tert-butyl (5R,8S)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7,8-dicarboxylate
CID 101015518
methyl 2-ethyl-3,4,6,7-tetrahydro-1H-isoquinoline-3-carboxylate
CID 143866585
methyl 1,4-diethylpyrrolidine-2-carboxylate
CID 91166358
9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 113374783
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 113239192
N-(2-methoxyethyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-sulfonamide
CID 114815935
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
methyl (2S,4R)-1-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 9237444
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
7-(2-cyclopentylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996213

Frequently Asked Questions

What is the IUPAC name of methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate (CID 139615178) is methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate is CCN1C[C@]2(C[C@H]1C(=O)OC)NC(=O)NC2=O.
What is the InChIKey of methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate?
The InChIKey is OSQFLOSVNMXHQO-WKEGUHRASA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-13-5-10(4-6(13)7(14)17-2)8(15)11-9(16)12-10/h6H,3-5H2,1-2H3,(H2,11,12,15,16)/t6-,10-/m0/s1.
What are the key properties of methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate?
methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate has a molecular weight of 241.25 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 139615178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).