methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate

C9H14N2O3S — CID 106380540

IUPACmethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
SMILESCCC(NCc1csc(=O)[nH]1)C(=O)OC
InChIInChI=1S/C9H14N2O3S/c1-3-7(8(12)14-2)10-4-6-5-15-9(13)11-6/h5,7,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyZSURGHFMOUVLRJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.48
Rot. Bonds5

About methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate

methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate (PubChem CID 106380540) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
PubChem CID106380540
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Namemethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
SMILESCCC(NCc1csc(=O)[nH]1)C(=O)OC
InChIInChI=1S/C9H14N2O3S/c1-3-7(8(12)14-2)10-4-6-5-15-9(13)11-6/h5,7,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyZSURGHFMOUVLRJ-UHFFFAOYSA-N
XLogP0.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate with MolForge

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Related Compounds

Methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
CID 27682349
Methyl 3-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoate
CID 43406871
Methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 60693463
Methyl 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 65443408
Methyl 3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate
CID 71972995
methyl (2R)-3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate
CID 97597481
methyl (2S)-3,3-dimethyl-2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethylamino]butanoate
CID 97597482
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106379679
4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380191
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380541
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380682

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The IUPAC name of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate (CID 106380540) is methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate is CCC(NCc1csc(=O)[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The InChIKey is ZSURGHFMOUVLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-3-7(8(12)14-2)10-4-6-5-15-9(13)11-6/h5,7,10H,3-4H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate has a molecular weight of 230.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate is sourced from PubChem (CID 106380540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).