[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium

C9H14NO3+ — CID 7015544

IUPAC[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
SMILESCCOC(=O)C[C@@H]([NH3+])c1ccoc1
InChIInChI=1S/C9H13NO3/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6,8H,2,5,10H2,1H3/p+1/t8-/m1/s1
InChIKeyGPICNQGICXGSGZ-MRVPVSSYSA-O
MW184.21 g/mol
LogP0.52
Rot. Bonds4

About [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium

[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium (PubChem CID 7015544) has the molecular formula C9H14NO3+ and a molecular weight of 184.21 g/mol. Its IUPAC name is [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium.

Molecular Properties

Compound Name[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
PubChem CID7015544
Molecular FormulaC9H14NO3+
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
SMILESCCOC(=O)C[C@@H]([NH3+])c1ccoc1
InChIInChI=1S/C9H13NO3/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6,8H,2,5,10H2,1H3/p+1/t8-/m1/s1
InChIKeyGPICNQGICXGSGZ-MRVPVSSYSA-O
XLogP0.52
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium
CID 7022712
ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156
ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
CID 171865500
methyl 4-amino-3-(furan-3-yl)hexanoate
CID 66097088
[(1S)-1-(3-bromo-4-ethylphenyl)-3-ethoxy-3-oxopropyl]azanium
CID 7046994
methyl 4-amino-3-(furan-3-yl)butanoate
CID 66096201
[3-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-3-oxopropyl]azanium
CID 4201976
[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium
CID 7447456
ethyl 3-(4-dimethylsilylphenyl)-3-methoxypropanoate
CID 151002957
methyl (2R)-2-amino-2-(furan-3-yl)acetate
CID 130841442
[(1S)-1-(2,4-dimethylphenyl)-3-ethoxy-3-oxopropyl]azanium
CID 7046984
2-(4-ethoxycarbonylpiperazin-1-yl)-2-(furan-3-yl)acetic acid
CID 72919845

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium?
The IUPAC name of [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium (CID 7015544) is [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium.
What is the SMILES notation for [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium?
The canonical SMILES for [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium is CCOC(=O)C[C@@H]([NH3+])c1ccoc1.
What is the InChIKey of [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium?
The InChIKey is GPICNQGICXGSGZ-MRVPVSSYSA-O. The full InChI is InChI=1S/C9H13NO3/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6,8H,2,5,10H2,1H3/p+1/t8-/m1/s1.
What are the key properties of [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium?
[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium has a molecular weight of 184.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium is sourced from PubChem (CID 7015544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).