(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid

C10H16N2O5S — CID 107824460

IUPAC(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1CSCN1)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-17-8(13)3-2-6(10(15)16)12-9(14)7-4-18-5-11-7/h6-7,11H,2-5H2,1H3,(H,12,14)(H,15,16)/t6-,7?/m1/s1
InChIKeyBLTAVQNMBRDJNN-ULUSZKPHSA-N
MW276.31 g/mol
LogP-0.83
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid

(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid (PubChem CID 107824460) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
PubChem CID107824460
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1CSCN1)C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-17-8(13)3-2-6(10(15)16)12-9(14)7-4-18-5-11-7/h6-7,11H,2-5H2,1H3,(H,12,14)(H,15,16)/t6-,7?/m1/s1
InChIKeyBLTAVQNMBRDJNN-ULUSZKPHSA-N
XLogP-0.83
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 107825017
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786584
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid (CID 107824460) is (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid is COC(=O)CC[C@@H](NC(=O)C1CSCN1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
The InChIKey is BLTAVQNMBRDJNN-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-17-8(13)3-2-6(10(15)16)12-9(14)7-4-18-5-11-7/h6-7,11H,2-5H2,1H3,(H,12,14)(H,15,16)/t6-,7?/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid?
(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid has a molecular weight of 276.31 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 107824460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).