methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate

C16H27N3O3S — CID 59131480

About methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate

methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate (PubChem CID 59131480) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate.

Molecular Properties

• Compound Name: methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
• PubChem CID: 59131480
• Molecular Formula: C16H27N3O3S
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.18
• IUPAC Name: methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
• SMILES: CCC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)OC
• InChI: InChI=1S/C16H27N3O3S/c1-7-11(4)13(15(20)22-6)18-16(21)19(5)8-12-9-23-14(17-12)10(2)3/h9-11,13H,7-8H2,1-6H3,(H,18,21)/t11?,13-/m0/s1
• InChIKey: FMFXJJQXZJFAMA-YUZLPWPTSA-N
• XLogP: 3.00
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate?

The IUPAC name of methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate (CID 59131480) is methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate.

What is the SMILES notation for methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate?

The canonical SMILES for methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate is CCC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)OC.

What is the InChIKey of methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate?

The InChIKey is FMFXJJQXZJFAMA-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-7-11(4)13(15(20)22-6)18-16(21)19(5)8-12-9-23-14(17-12)10(2)3/h9-11,13H,7-8H2,1-6H3,(H,18,21)/t11?,13-/m0/s1.

What are the key properties of methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate?

methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate has a molecular weight of 341.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate is sourced from PubChem (CID 59131480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).