methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate

C7H12N2O3S — CID 20624262

IUPACmethyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)CN
InChIInChI=1S/C7H12N2O3S/c1-12-7(11)5-3-13-4-9(5)6(10)2-8/h5H,2-4,8H2,1H3
InChIKeySQMNBQXIKKXZSW-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.98
Rot. Bonds2

About methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate

methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 20624262) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
PubChem CID20624262
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Namemethyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)CN
InChIInChI=1S/C7H12N2O3S/c1-12-7(11)5-3-13-4-9(5)6(10)2-8/h5H,2-4,8H2,1H3
InChIKeySQMNBQXIKKXZSW-UHFFFAOYSA-N
XLogP-0.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680
methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 14548324
methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
CID 11833733
methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 95989117
methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
CID 86153682
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
methyl 3-[4-[(4-methylphenyl)methylamino]-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylate
CID 14457934
3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 103155360
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate (CID 20624262) is methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(=O)CN.
What is the InChIKey of methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is SQMNBQXIKKXZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-12-7(11)5-3-13-4-9(5)6(10)2-8/h5H,2-4,8H2,1H3.
What are the key properties of methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate?
methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 204.25 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 20624262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).