3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H17N3O5S — CID 103994602

IUPAC3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCNC(=O)CNC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H17N3O5S/c1-18-3-2-11-8(14)4-12-10(17)13-6-19-5-7(13)9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyNIQSHBKQVVDDMR-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.08
Rot. Bonds6

About 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103994602) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID103994602
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCNC(=O)CNC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H17N3O5S/c1-18-3-2-11-8(14)4-12-10(17)13-6-19-5-7(13)9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyNIQSHBKQVVDDMR-UHFFFAOYSA-N
XLogP-1.08
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106216192
(4R)-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106431555
(4S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 59927103
(4R)-3-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113450706

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 103994602) is 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is COCCNC(=O)CNC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NIQSHBKQVVDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-18-3-2-11-8(14)4-12-10(17)13-6-19-5-7(13)9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103994602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).