ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate

C17H27N3O4 — CID 25278147

IUPACethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H27N3O4/c1-2-24-14(21)10-18-16(23)20-9-7-17(12-20)6-3-8-19(15(17)22)11-13-4-5-13/h13H,2-12H2,1H3,(H,18,23)/t17-/m1/s1
InChIKeyBCBSLOHRGOPCQW-QGZVFWFLSA-N
MW337.42 g/mol
LogP0.98
Rot. Bonds5

About ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate

ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate (PubChem CID 25278147) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate
PubChem CID25278147
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nameethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H27N3O4/c1-2-24-14(21)10-18-16(23)20-9-7-17(12-20)6-3-8-19(15(17)22)11-13-4-5-13/h13H,2-12H2,1H3,(H,18,23)/t17-/m1/s1
InChIKeyBCBSLOHRGOPCQW-QGZVFWFLSA-N
XLogP0.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate (CID 25278147) is ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate?
The InChIKey is BCBSLOHRGOPCQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-2-24-14(21)10-18-16(23)20-9-7-17(12-20)6-3-8-19(15(17)22)11-13-4-5-13/h13H,2-12H2,1H3,(H,18,23)/t17-/m1/s1.
What are the key properties of ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate?
ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate has a molecular weight of 337.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate is sourced from PubChem (CID 25278147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).