2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide

C12H20N4O5 — CID 167163716

IUPAC2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide
SMILESNCC(=O)N1CCCC12CCN(OC(CO)C(N)=O)C2=O
InChIInChI=1S/C12H20N4O5/c13-6-9(18)15-4-1-2-12(15)3-5-16(11(12)20)21-8(7-17)10(14)19/h8,17H,1-7,13H2,(H2,14,19)
InChIKeyFXESPSNQEGRNKK-UHFFFAOYSA-N
MW300.32 g/mol
LogP-2.68
Rot. Bonds5

About 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide

2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide (PubChem CID 167163716) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide
PubChem CID167163716
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide
SMILESNCC(=O)N1CCCC12CCN(OC(CO)C(N)=O)C2=O
InChIInChI=1S/C12H20N4O5/c13-6-9(18)15-4-1-2-12(15)3-5-16(11(12)20)21-8(7-17)10(14)19/h8,17H,1-7,13H2,(H2,14,19)
InChIKeyFXESPSNQEGRNKK-UHFFFAOYSA-N
XLogP-2.68
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-2.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide?
The IUPAC name of 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide (CID 167163716) is 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide.
What is the SMILES notation for 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide?
The canonical SMILES for 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide is NCC(=O)N1CCCC12CCN(OC(CO)C(N)=O)C2=O.
What is the InChIKey of 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide?
The InChIKey is FXESPSNQEGRNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5/c13-6-9(18)15-4-1-2-12(15)3-5-16(11(12)20)21-8(7-17)10(14)19/h8,17H,1-7,13H2,(H2,14,19).
What are the key properties of 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide?
2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide has a molecular weight of 300.32 g/mol, XLogP of -2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoacetyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]oxy]-3-hydroxypropanamide is sourced from PubChem (CID 167163716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).