2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid

C10H14N2O3S — CID 114898569

IUPAC2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
SMILESCc1csc(C(C)NC(=O)C(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O3S/c1-5-4-16-9(11-5)7(3)12-8(13)6(2)10(14)15/h4,6-7H,1-3H3,(H,12,13)(H,14,15)
InChIKeyFYTNMINQAFPFTL-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.35
Rot. Bonds4

About 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid

2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid (PubChem CID 114898569) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
PubChem CID114898569
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
SMILESCc1csc(C(C)NC(=O)C(C)C(=O)O)n1
InChIInChI=1S/C10H14N2O3S/c1-5-4-16-9(11-5)7(3)12-8(13)6(2)10(14)15/h4,6-7H,1-3H3,(H,12,13)(H,14,15)
InChIKeyFYTNMINQAFPFTL-UHFFFAOYSA-N
XLogP1.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799857
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 90651513
5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607651
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid (CID 114898569) is 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid is Cc1csc(C(C)NC(=O)C(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid?
The InChIKey is FYTNMINQAFPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5-4-16-9(11-5)7(3)12-8(13)6(2)10(14)15/h4,6-7H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid?
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid is sourced from PubChem (CID 114898569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).