ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate

C16H27NO4 — CID 79909780

IUPACethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H27NO4/c1-2-20-15(18)12-17(13-3-4-13)14-5-8-21-16(11-14)6-9-19-10-7-16/h13-14H,2-12H2,1H3
InChIKeySZKPNCKRFVKRFW-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.74
Rot. Bonds5

About ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate

ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate (PubChem CID 79909780) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
PubChem CID79909780
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nameethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H27NO4/c1-2-20-15(18)12-17(13-3-4-13)14-5-8-21-16(11-14)6-9-19-10-7-16/h13-14H,2-12H2,1H3
InChIKeySZKPNCKRFVKRFW-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
methyl 3-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]propanoate
CID 79919754
3-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
CID 79902210
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
3-[cyclobutyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]propan-1-ol
CID 102858387
N'-cyclopropyl-N'-(2,6-dioxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897518
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine
CID 79897986
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65057470

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate (CID 79909780) is ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate is CCOC(=O)CN(C1CC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate?
The InChIKey is SZKPNCKRFVKRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-20-15(18)12-17(13-3-4-13)14-5-8-21-16(11-14)6-9-19-10-7-16/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate?
ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate has a molecular weight of 297.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate is sourced from PubChem (CID 79909780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).