3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid

C8H12N2O3S — CID 65466419

IUPAC3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(C(=O)N2CSCC2C(=O)O)CC1
InChIInChI=1S/C8H12N2O3S/c9-8(1-2-8)7(13)10-4-14-3-5(10)6(11)12/h5H,1-4,9H2,(H,11,12)
InChIKeyTUJDYSQIDFLKEN-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.54
Rot. Bonds2

About 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65466419) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID65466419
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(C(=O)N2CSCC2C(=O)O)CC1
InChIInChI=1S/C8H12N2O3S/c9-8(1-2-8)7(13)10-4-14-3-5(10)6(11)12/h5H,1-4,9H2,(H,11,12)
InChIKeyTUJDYSQIDFLKEN-UHFFFAOYSA-N
XLogP-0.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81172472
(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113280688
4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
CID 82904599
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4R)-3-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 115441864
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144833
3-(3-propan-2-ylpyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 106980256
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071822
3-acetyl-1,3-thiazolidine-4-carboxylic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 13254309
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 65466419) is 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is NC1(C(=O)N2CSCC2C(=O)O)CC1.
What is the InChIKey of 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TUJDYSQIDFLKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c9-8(1-2-8)7(13)10-4-14-3-5(10)6(11)12/h5H,1-4,9H2,(H,11,12).
What are the key properties of 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65466419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).