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

C8H14N2O3S — CID 10171360

IUPAC(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)C1NCCS1
InChIInChI=1S/C8H14N2O3S/c9-5(1-2-6(11)12)7(13)8-10-3-4-14-8/h5,8,10H,1-4,9H2,(H,11,12)/t5-,8?/m0/s1
InChIKeyLCCXIXLPFWPVOB-NTFOPCPOSA-N
MW218.28 g/mol
LogP-0.59
Rot. Bonds5

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

(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid (PubChem CID 10171360) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid
PubChem CID10171360
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)C1NCCS1
InChIInChI=1S/C8H14N2O3S/c9-5(1-2-6(11)12)7(13)8-10-3-4-14-8/h5,8,10H,1-4,9H2,(H,11,12)/t5-,8?/m0/s1
InChIKeyLCCXIXLPFWPVOB-NTFOPCPOSA-N
XLogP-0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-aminopentanedioic acid;chromium
CID 87792997
4-amino-5-[5-(2-amino-4-carboxybutanoyl)-3,6-dioxopiperazin-2-yl]-5-oxopentanoic acid
CID 66840251
ethane;1,3-thiazolidine-2-carboxylic acid
CID 144912581
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;piperidine
CID 19704542
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
2-aminopentanedioic acid;hexahydrate
CID 173177476

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid (CID 10171360) is (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid is N[C@@H](CCC(=O)O)C(=O)C1NCCS1.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid?
The InChIKey is LCCXIXLPFWPVOB-NTFOPCPOSA-N. The full InChI is InChI=1S/C8H14N2O3S/c9-5(1-2-6(11)12)7(13)8-10-3-4-14-8/h5,8,10H,1-4,9H2,(H,11,12)/t5-,8?/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid?
(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid has a molecular weight of 218.28 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid is sourced from PubChem (CID 10171360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).