methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate

C9H16N2O3S — CID 119281420

IUPACmethyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
SMILESCCC(NC(=O)C1CSCN1)C(=O)OC
InChIInChI=1S/C9H16N2O3S/c1-3-6(9(13)14-2)11-8(12)7-4-15-5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyLPOPTSMDWFGQJD-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.28
Rot. Bonds4

About methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate

methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate (PubChem CID 119281420) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
PubChem CID119281420
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Namemethyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
SMILESCCC(NC(=O)C1CSCN1)C(=O)OC
InChIInChI=1S/C9H16N2O3S/c1-3-6(9(13)14-2)11-8(12)7-4-15-5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyLPOPTSMDWFGQJD-UHFFFAOYSA-N
XLogP-0.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 60780380
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107824460
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
methyl 2-(morpholine-3-carbonylamino)butanoate
CID 119709002
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
(2S)-4-hydroxy-2-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 107825017
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate?
The IUPAC name of methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate (CID 119281420) is methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate.
What is the SMILES notation for methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate?
The canonical SMILES for methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate is CCC(NC(=O)C1CSCN1)C(=O)OC.
What is the InChIKey of methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate?
The InChIKey is LPOPTSMDWFGQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-3-6(9(13)14-2)11-8(12)7-4-15-5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate?
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate has a molecular weight of 232.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate is sourced from PubChem (CID 119281420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).