(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H21N3O3S — CID 62635329

IUPAC(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)N(C)CCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3S/c1-8(2)13(3)5-4-12-11(17)14-7-18-6-9(14)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyUKJGTPNWCVHPGR-VIFPVBQESA-N
MW275.37 g/mol
LogP0.50
Rot. Bonds5

About (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62635329) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID62635329
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)N(C)CCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3S/c1-8(2)13(3)5-4-12-11(17)14-7-18-6-9(14)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyUKJGTPNWCVHPGR-VIFPVBQESA-N
XLogP0.50
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54968091
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340
3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779770
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
3-methyl-1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782518
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994602
(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54995462
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106216192

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 62635329) is (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC(C)N(C)CCNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UKJGTPNWCVHPGR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-8(2)13(3)5-4-12-11(17)14-7-18-6-9(14)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62635329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).