ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate

C14H25NO4 — CID 14552387

IUPACethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCCN[C@@H]1CCC2(C[C@H]1C(=O)OCC)OCCO2
InChIInChI=1S/C14H25NO4/c1-3-7-15-12-5-6-14(18-8-9-19-14)10-11(12)13(16)17-4-2/h11-12,15H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyZZNFLASPPVVUJY-VXGBXAGGSA-N
MW271.36 g/mol
LogP1.46
Rot. Bonds5

About ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate

ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 14552387) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID14552387
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCCN[C@@H]1CCC2(C[C@H]1C(=O)OCC)OCCO2
InChIInChI=1S/C14H25NO4/c1-3-7-15-12-5-6-14(18-8-9-19-14)10-11(12)13(16)17-4-2/h11-12,15H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyZZNFLASPPVVUJY-VXGBXAGGSA-N
XLogP1.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (7S,8S)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 18632328
N-propyl-7-propylsulfonyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64644910
7-(2-propoxyethoxy)-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 63685078
7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653912
sodium;ethyl (7R,8R)-8-[[(1R)-1-phenylethyl]amino]-1,4-dioxaspiro[4.5]decane-7-carboxylate;ethyl (8R)-8-[[(1R)-1-phenylethyl]amino]-1,4-dioxaspiro[4.5]decane-7-carboxylate;2-methylpropan-2-olate;oxolane
CID 160523324
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl 4'-methylsulfonyloxy-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxylate
CID 15630939
3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
CID 66137561
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 159011584
[4-[[(7R,8S)-7-ethoxycarbonyl-1,4-dioxaspiro[4.5]decan-8-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butyl]-dimethylsulfanium
CID 87300783
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl (7R)-8-[[(1R)-1-phenylethyl]iminomethyl]-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 142977427

Frequently Asked Questions

What is the IUPAC name of ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 14552387) is ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate is CCCN[C@@H]1CCC2(C[C@H]1C(=O)OCC)OCCO2.
What is the InChIKey of ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is ZZNFLASPPVVUJY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-7-15-12-5-6-14(18-8-9-19-14)10-11(12)13(16)17-4-2/h11-12,15H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R,8R)-8-(propylamino)-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 14552387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).