3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C15H26N2O3S — CID 63779873

IUPAC3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C15H26N2O3S/c1-4-7-16(8-11-5-6-11)15(20)17-12(14(18)19)9-21-13(17)10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyPXQQZEIRFXPYDH-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.71
Rot. Bonds6

About 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779873) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779873
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C15H26N2O3S/c1-4-7-16(8-11-5-6-11)15(20)17-12(14(18)19)9-21-13(17)10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyPXQQZEIRFXPYDH-UHFFFAOYSA-N
XLogP2.71
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-[cyclopropylmethyl(ethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63956666
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780098
3-[2-hydroxyethyl(propyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780042
3-[(E)-4-aminobut-2-enoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 112746829
3-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780732
3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779895
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235898
3-(2-methoxy-2-methylbutanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 114105231

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63779873) is 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCCN(CC1CC1)C(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PXQQZEIRFXPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-7-16(8-11-5-6-11)15(20)17-12(14(18)19)9-21-13(17)10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).