2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid

C12H18N2O4S — CID 65218357

IUPAC2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-4-9(11(16)17)5-13-10(15)6-14-8(2)7-19-12(14)18/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYELBHXLSEFZXER-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.84
Rot. Bonds7

About 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid

2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid (PubChem CID 65218357) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid
PubChem CID65218357
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-4-9(11(16)17)5-13-10(15)6-14-8(2)7-19-12(14)18/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyYELBHXLSEFZXER-UHFFFAOYSA-N
XLogP0.84
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]methyl]pentanoic acid
CID 65219440
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103843795
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
(2S)-3-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 61137861
4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
(2S)-3,3-dimethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 61144249
2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
CID 65286010
(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid
CID 107831593
N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
CID 87042035
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 32631997

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid (CID 65218357) is 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)Cn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is YELBHXLSEFZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-4-9(11(16)17)5-13-10(15)6-14-8(2)7-19-12(14)18/h7,9H,3-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid?
2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65218357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).