methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate

C11H17N3O3S — CID 59721282

IUPACmethyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
SMILESCC[C@H](NC(=O)N(C)Cc1cncs1)C(=O)OC
InChIInChI=1S/C11H17N3O3S/c1-4-9(10(15)17-3)13-11(16)14(2)6-8-5-12-7-18-8/h5,7,9H,4,6H2,1-3H3,(H,13,16)/t9-/m0/s1
InChIKeyBHWIJTYBQVBDDJ-VIFPVBQESA-N
MW271.34 g/mol
LogP1.24
Rot. Bonds5

About methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate

methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate (PubChem CID 59721282) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
PubChem CID59721282
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
SMILESCC[C@H](NC(=O)N(C)Cc1cncs1)C(=O)OC
InChIInChI=1S/C11H17N3O3S/c1-4-9(10(15)17-3)13-11(16)14(2)6-8-5-12-7-18-8/h5,7,9H,4,6H2,1-3H3,(H,13,16)/t9-/m0/s1
InChIKeyBHWIJTYBQVBDDJ-VIFPVBQESA-N
XLogP1.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate?
The IUPAC name of methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate (CID 59721282) is methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate.
What is the SMILES notation for methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate?
The canonical SMILES for methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate is CC[C@H](NC(=O)N(C)Cc1cncs1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate?
The InChIKey is BHWIJTYBQVBDDJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-9(10(15)17-3)13-11(16)14(2)6-8-5-12-7-18-8/h5,7,9H,4,6H2,1-3H3,(H,13,16)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate?
methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate has a molecular weight of 271.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate is sourced from PubChem (CID 59721282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).