2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid

C15H22N4O4S — CID 122092810

About 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122092810) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122092810
• Molecular Formula: C15H22N4O4S
• Molecular Weight: 354.43 g/mol
• Exact Mass: 354.14
• IUPAC Name: 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• SMILES: COc1cnc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)s1
• InChI: InChI=1S/C15H22N4O4S/c1-23-13-6-16-15(24-13)18-14(22)17-10-4-11(5-10)19(8-12(20)21)7-9-2-3-9/h6,9-11H,2-5,7-8H2,1H3,(H,20,21)(H2,16,17,18,22)
• InChIKey: HMMFLUZPVJFPTQ-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.43
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122092810) is 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid is COc1cnc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)s1.

What is the InChIKey of 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

The InChIKey is HMMFLUZPVJFPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-23-13-6-16-15(24-13)18-14(22)17-10-4-11(5-10)19(8-12(20)21)7-9-2-3-9/h6,9-11H,2-5,7-8H2,1H3,(H,20,21)(H2,16,17,18,22).

What are the key properties of 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?

2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 354.43 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122092810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).