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

C17H26N4O3S — CID 122091535

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

2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122091535) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• PubChem CID: 122091535
• Molecular Formula: C17H26N4O3S
• Molecular Weight: 366.49 g/mol
• Exact Mass: 366.17
• IUPAC Name: 2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
• SMILES: CC(C)c1cnc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)s1
• InChI: InChI=1S/C17H26N4O3S/c1-10(2)14-7-18-17(25-14)20-16(24)19-12-5-13(6-12)21(9-15(22)23)8-11-3-4-11/h7,10-13H,3-6,8-9H2,1-2H3,(H,22,23)(H2,18,19,20,24)
• InChIKey: MZPCDJZJKYLVPG-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.49
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122091535) is 2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

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

The canonical SMILES for 2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid is CC(C)c1cnc(NC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)s1.

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

The InChIKey is MZPCDJZJKYLVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-10(2)14-7-18-17(25-14)20-16(24)19-12-5-13(6-12)21(9-15(22)23)8-11-3-4-11/h7,10-13H,3-6,8-9H2,1-2H3,(H,22,23)(H2,18,19,20,24).

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

2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 366.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122091535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).