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

C14H21N3O4S2 — CID 122071854

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

2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122071854) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122071854
• Molecular Formula: C14H21N3O4S2
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.10
• IUPAC Name: 2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid
• SMILES: Cc1ncc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)s1
• InChI: InChI=1S/C14H21N3O4S2/c1-9-15-6-14(22-9)23(20,21)16-11-4-12(5-11)17(8-13(18)19)7-10-2-3-10/h6,10-12,16H,2-5,7-8H2,1H3,(H,18,19)
• InChIKey: UEHHAKUZPUPOGJ-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 99.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122071854) is 2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid.

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

The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid is Cc1ncc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)s1.

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

The InChIKey is UEHHAKUZPUPOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c1-9-15-6-14(22-9)23(20,21)16-11-4-12(5-11)17(8-13(18)19)7-10-2-3-10/h6,10-12,16H,2-5,7-8H2,1H3,(H,18,19).

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

2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 359.47 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122071854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).