2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid

C9H14N2O5S — CID 70414980

IUPAC2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid
SMILESCC1NC(C(=O)NC(CC(=O)O)C(=O)O)CS1
InChIInChI=1S/C9H14N2O5S/c1-4-10-6(3-17-4)8(14)11-5(9(15)16)2-7(12)13/h4-6,10H,2-3H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyLNEVKYRBOWPNPW-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.92
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid

2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid (PubChem CID 70414980) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid
PubChem CID70414980
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid
SMILESCC1NC(C(=O)NC(CC(=O)O)C(=O)O)CS1
InChIInChI=1S/C9H14N2O5S/c1-4-10-6(3-17-4)8(14)11-5(9(15)16)2-7(12)13/h4-6,10H,2-3H2,1H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyLNEVKYRBOWPNPW-UHFFFAOYSA-N
XLogP-0.92
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic 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

2-methyl-1,3-thiazolidine-4-carboxamide
CID 18505122
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
CID 102779851
2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223477
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]butanedioic acid
CID 18223497
2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223690
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
CID 103870151
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
CID 103870283
(2S)-4-methoxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 79384306
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 143102734

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid (CID 70414980) is 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid is CC1NC(C(=O)NC(CC(=O)O)C(=O)O)CS1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid?
The InChIKey is LNEVKYRBOWPNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-4-10-6(3-17-4)8(14)11-5(9(15)16)2-7(12)13/h4-6,10H,2-3H2,1H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid?
2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid has a molecular weight of 262.29 g/mol, XLogP of -0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 70414980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).