4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid

C11H19N3O3S — CID 69152774

IUPAC4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid
SMILESN[C@H](C(=O)N1CCSC1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H19N3O3S/c12-9(10(15)14-5-6-18-7-14)8-1-3-13(4-2-8)11(16)17/h8-9H,1-7,12H2,(H,16,17)/t9-/m0/s1
InChIKeyAHJOOMOXGCFKCG-VIFPVBQESA-N
MW273.36 g/mol
LogP0.24
Rot. Bonds2

About 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid

4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid (PubChem CID 69152774) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid
PubChem CID69152774
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid
SMILESN[C@H](C(=O)N1CCSC1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H19N3O3S/c12-9(10(15)14-5-6-18-7-14)8-1-3-13(4-2-8)11(16)17/h8-9H,1-7,12H2,(H,16,17)/t9-/m0/s1
InChIKeyAHJOOMOXGCFKCG-VIFPVBQESA-N
XLogP0.24
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid (CID 69152774) is 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid is N[C@H](C(=O)N1CCSC1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid?
The InChIKey is AHJOOMOXGCFKCG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3S/c12-9(10(15)14-5-6-18-7-14)8-1-3-13(4-2-8)11(16)17/h8-9H,1-7,12H2,(H,16,17)/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid?
4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69152774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).