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

C14H22N2O4S — CID 60829210

IUPAC2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C14H22N2O4S/c1-4-10(2)16(8-13(18)19)12(17)6-5-7-15-11(3)9-21-14(15)20/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyBKCHDOGDHCKTBK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.71
Rot. Bonds8

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

2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid (PubChem CID 60829210) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
PubChem CID60829210
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C14H22N2O4S/c1-4-10(2)16(8-13(18)19)12(17)6-5-7-15-11(3)9-21-14(15)20/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyBKCHDOGDHCKTBK-UHFFFAOYSA-N
XLogP1.71
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid (CID 60829210) is 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CCCn1c(C)csc1=O.
What is the InChIKey of 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
The InChIKey is BKCHDOGDHCKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-10(2)16(8-13(18)19)12(17)6-5-7-15-11(3)9-21-14(15)20/h9-10H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid?
2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid has a molecular weight of 314.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid is sourced from PubChem (CID 60829210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).