4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid

C9H16N2O3S — CID 64895022

IUPAC4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CCSCC1
InChIInChI=1S/C9H16N2O3S/c10-7(1-2-8(12)13)9(14)11-3-5-15-6-4-11/h7H,1-6,10H2,(H,12,13)
InChIKeyYPIBOTJFMSFQBJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.25
Rot. Bonds4

About 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid

4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid (PubChem CID 64895022) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
PubChem CID64895022
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CCSCC1
InChIInChI=1S/C9H16N2O3S/c10-7(1-2-8(12)13)9(14)11-3-5-15-6-4-11/h7H,1-6,10H2,(H,12,13)
InChIKeyYPIBOTJFMSFQBJ-UHFFFAOYSA-N
XLogP-0.25
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-oxo-4-(1,4-thiazepan-4-yl)butanoic acid
CID 64896344
2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210676
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
4-amino-5-(3-hydroxyazetidin-1-yl)-5-oxopentanoic acid
CID 107217500
4-amino-5-oxo-5-(4-prop-2-ynylpiperazin-1-yl)pentanoic acid
CID 64889510
4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
CID 107219249
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
CID 64890724
4-amino-5-[4-(3,5-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 66920440
4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64890678

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid (CID 64895022) is 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid is NC(CCC(=O)O)C(=O)N1CCSCC1.
What is the InChIKey of 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid?
The InChIKey is YPIBOTJFMSFQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c10-7(1-2-8(12)13)9(14)11-3-5-15-6-4-11/h7H,1-6,10H2,(H,12,13).
What are the key properties of 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid?
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid has a molecular weight of 232.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid is sourced from PubChem (CID 64895022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).