2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid

C11H17N3O3S — CID 55011749

IUPAC2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-3-4-9(10(15)16)13-11(17)14(2)5-8-6-18-7-12-8/h6-7,9H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyLKDUVYURQTXHPG-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.54
Rot. Bonds6

About 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid

2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid (PubChem CID 55011749) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
PubChem CID55011749
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-3-4-9(10(15)16)13-11(17)14(2)5-8-6-18-7-12-8/h6-7,9H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyLKDUVYURQTXHPG-UHFFFAOYSA-N
XLogP1.54
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid (CID 55011749) is 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(C)Cc1cscn1)C(=O)O.
What is the InChIKey of 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is LKDUVYURQTXHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-4-9(10(15)16)13-11(17)14(2)5-8-6-18-7-12-8/h6-7,9H,3-5H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 55011749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).