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

C8H14N2O3S — CID 21299103

IUPACmethyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CSC(C)N1
InChIInChI=1S/C8H14N2O3S/c1-5-10-6(4-14-5)8(12)9-3-7(11)13-2/h5-6,10H,3-4H2,1-2H3,(H,9,12)
InChIKeyNTCHVXJWIOTLME-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.67
Rot. Bonds3

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

methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate (PubChem CID 21299103) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate
PubChem CID21299103
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Namemethyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CSC(C)N1
InChIInChI=1S/C8H14N2O3S/c1-5-10-6(4-14-5)8(12)9-3-7(11)13-2/h5-6,10H,3-4H2,1-2H3,(H,9,12)
InChIKeyNTCHVXJWIOTLME-UHFFFAOYSA-N
XLogP-0.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Methyl 2-[2-acetamido-4-(methylsulfanyl)butanamido]acetate
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methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
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Alonacic
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4-Thiazolidinecarboxylic acid, 3-glycyl-2-methyl-, ethyl ester, hydrobromide
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Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
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2-Acetamido-3-(acetylthio)propanoic acid, methyl ester
CID 536689
2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetic acid
CID 477573
tert-butyl 2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetate
CID 477574
2-(2-Amino-acetylamino)-4-methylsulfanyl-butyric acid ethyl ester
CID 650789
ethyl (2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanoate
CID 44390844
methyl (2R)-3-methylsulfanyl-2-(propanoylamino)propanoate
CID 145981367

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate (CID 21299103) is methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate is COC(=O)CNC(=O)C1CSC(C)N1.
What is the InChIKey of methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate?
The InChIKey is NTCHVXJWIOTLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-5-10-6(4-14-5)8(12)9-3-7(11)13-2/h5-6,10H,3-4H2,1-2H3,(H,9,12).
What are the key properties of methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate?
methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate has a molecular weight of 218.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 21299103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).