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

C12H16N2O4S — CID 43655672

IUPAC2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)5-10(15)13(6-11(16)17)4-9-2-3-9/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyFENPJMDAKSOFGH-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.54
Rot. Bonds6

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

2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid (PubChem CID 43655672) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
PubChem CID43655672
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)5-10(15)13(6-11(16)17)4-9-2-3-9/h7,9H,2-6H2,1H3,(H,16,17)
InChIKeyFENPJMDAKSOFGH-UHFFFAOYSA-N
XLogP0.54
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid (CID 43655672) is 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid is Cc1csc(=O)n1CC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
The InChIKey is FENPJMDAKSOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-7-19-12(18)14(8)5-10(15)13(6-11(16)17)4-9-2-3-9/h7,9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid has a molecular weight of 284.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43655672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).