methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate

C10H17NO3S — CID 71410127

IUPACmethyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCN1C(C(=O)OC)CSC1C(C)=O
InChIInChI=1S/C10H17NO3S/c1-4-5-11-8(10(13)14-3)6-15-9(11)7(2)12/h8-9H,4-6H2,1-3H3
InChIKeyKBUFVOGRNDTZEU-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate

methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 71410127) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID71410127
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Namemethyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCN1C(C(=O)OC)CSC1C(C)=O
InChIInChI=1S/C10H17NO3S/c1-4-5-11-8(10(13)14-3)6-15-9(11)7(2)12/h8-9H,4-6H2,1-3H3
InChIKeyKBUFVOGRNDTZEU-UHFFFAOYSA-N
XLogP0.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate (CID 71410127) is methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate is CCCN1C(C(=O)OC)CSC1C(C)=O.
What is the InChIKey of methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is KBUFVOGRNDTZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-4-5-11-8(10(13)14-3)6-15-9(11)7(2)12/h8-9H,4-6H2,1-3H3.
What are the key properties of methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate?
methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 231.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyl-3-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 71410127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).