2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid

C14H20N2O4S — CID 43360443

IUPAC2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9-8-21-13(20)16(9)7-3-4-11(17)15-14(2,12(18)19)10-5-6-10/h8,10H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyADNWAOAVHDJRBO-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.37
Rot. Bonds7

About 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid

2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (PubChem CID 43360443) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
PubChem CID43360443
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9-8-21-13(20)16(9)7-3-4-11(17)15-14(2,12(18)19)10-5-6-10/h8,10H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyADNWAOAVHDJRBO-UHFFFAOYSA-N
XLogP1.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (CID 43360443) is 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is Cc1csc(=O)n1CCCC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The InChIKey is ADNWAOAVHDJRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-8-21-13(20)16(9)7-3-4-11(17)15-14(2,12(18)19)10-5-6-10/h8,10H,3-7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid has a molecular weight of 312.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 43360443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).