3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C13H23N3O4S — CID 63779895

IUPAC3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(=O)CN(C)C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C13H23N3O4S/c1-5-14-10(17)6-15(4)13(20)16-9(12(18)19)7-21-11(16)8(2)3/h8-9,11H,5-7H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyNFRXNKDZWUWSOE-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.66
Rot. Bonds5

About 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779895) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779895
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCNC(=O)CN(C)C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C13H23N3O4S/c1-5-14-10(17)6-15(4)13(20)16-9(12(18)19)7-21-11(16)8(2)3/h8-9,11H,5-7H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyNFRXNKDZWUWSOE-UHFFFAOYSA-N
XLogP0.66
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235898
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780098
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922463
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780792
(2S,4S)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714645
3-(3-aminopropylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55236303
3-(2-methoxy-2-methylbutanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 114105231
(2S,4R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55260171
3-[4-(methylamino)butanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235899

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63779895) is 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCNC(=O)CN(C)C(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NFRXNKDZWUWSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-5-14-10(17)6-15(4)13(20)16-9(12(18)19)7-21-11(16)8(2)3/h8-9,11H,5-7H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 317.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).