(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid

C10H15N3O5S — CID 61144203

IUPAC(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C10H15N3O5S/c11-7(14)2-1-6(10(17)18)12-8(15)3-13-5-19-4-9(13)16/h6H,1-5H2,(H2,11,14)(H,12,15)(H,17,18)/t6-/m0/s1
InChIKeyRBMRJIDYUPSPNK-LURJTMIESA-N
MW289.31 g/mol
LogP-1.65
Rot. Bonds7

About (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid (PubChem CID 61144203) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
PubChem CID61144203
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C10H15N3O5S/c11-7(14)2-1-6(10(17)18)12-8(15)3-13-5-19-4-9(13)16/h6H,1-5H2,(H2,11,14)(H,12,15)(H,17,18)/t6-/m0/s1
InChIKeyRBMRJIDYUPSPNK-LURJTMIESA-N
XLogP-1.65
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid (CID 61144203) is (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid is NC(=O)CC[C@H](NC(=O)CN1CSCC1=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is RBMRJIDYUPSPNK-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O5S/c11-7(14)2-1-6(10(17)18)12-8(15)3-13-5-19-4-9(13)16/h6H,1-5H2,(H2,11,14)(H,12,15)(H,17,18)/t6-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 289.31 g/mol, XLogP of -1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 61144203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).