(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid

C13H22N2O3 — CID 68682826

IUPAC(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid
SMILESCCCN1CCC[C@@]12CCN([C@@H](C)C(=O)O)C2=O
InChIInChI=1S/C13H22N2O3/c1-3-7-14-8-4-5-13(14)6-9-15(12(13)18)10(2)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyMWBZDSWWSYSRTG-GWCFXTLKSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds4

About (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid

(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid (PubChem CID 68682826) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid
PubChem CID68682826
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid
SMILESCCCN1CCC[C@@]12CCN([C@@H](C)C(=O)O)C2=O
InChIInChI=1S/C13H22N2O3/c1-3-7-14-8-4-5-13(14)6-9-15(12(13)18)10(2)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)/t10-,13-/m0/s1
InChIKeyMWBZDSWWSYSRTG-GWCFXTLKSA-N
XLogP0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid?
The IUPAC name of (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid (CID 68682826) is (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid is CCCN1CCC[C@@]12CCN([C@@H](C)C(=O)O)C2=O.
What is the InChIKey of (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid?
The InChIKey is MWBZDSWWSYSRTG-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-7-14-8-4-5-13(14)6-9-15(12(13)18)10(2)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)/t10-,13-/m0/s1.
What are the key properties of (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid?
(2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]nonan-7-yl]propanoic acid is sourced from PubChem (CID 68682826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).