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

C10H18N2O3S — CID 60780380

IUPACmethyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)C1CSCN1)C(C)C
InChIInChI=1S/C10H18N2O3S/c1-6(2)8(10(14)15-3)12-9(13)7-4-16-5-11-7/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyGKWAMOBJIZPNMM-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.04
Rot. Bonds4

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

methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate (PubChem CID 60780380) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
PubChem CID60780380
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Namemethyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)C1CSCN1)C(C)C
InChIInChI=1S/C10H18N2O3S/c1-6(2)8(10(14)15-3)12-9(13)7-4-16-5-11-7/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyGKWAMOBJIZPNMM-UHFFFAOYSA-N
XLogP-0.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 164654399
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-[(1S)-1-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 81391197
methyl (2S)-2-[[(3R,4R)-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 163573089
N-[1-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280182
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
(2R)-5-methoxy-5-oxo-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107824460

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate (CID 60780380) is methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate is COC(=O)C(NC(=O)C1CSCN1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate?
The InChIKey is GKWAMOBJIZPNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-6(2)8(10(14)15-3)12-9(13)7-4-16-5-11-7/h6-8,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate?
methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate has a molecular weight of 246.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(1,3-thiazolidine-4-carbonylamino)butanoate is sourced from PubChem (CID 60780380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).