(2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid

C15H24N4O4 — CID 120695591

About (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120695591) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

• Compound Name: (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
• PubChem CID: 120695591
• Molecular Formula: C15H24N4O4
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.18
• IUPAC Name: (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
• SMILES: CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C(C)C)[nH]n1)C(=O)O
• InChI: InChI=1S/C15H24N4O4/c1-8(2)5-12(15(22)23)17-13(20)7-16-14(21)11-6-10(9(3)4)18-19-11/h6,8-9,12H,5,7H2,1-4H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t12-/m0/s1
• InChIKey: VNVBCRDVJJDUFB-LBPRGKRZSA-N
• XLogP: 0.88
• TPSA: 124.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?

The IUPAC name of (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid (CID 120695591) is (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid.

What is the SMILES notation for (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?

The canonical SMILES for (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)CNC(=O)c1cc(C(C)C)[nH]n1)C(=O)O.

What is the InChIKey of (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?

The InChIKey is VNVBCRDVJJDUFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-8(2)5-12(15(22)23)17-13(20)7-16-14(21)11-6-10(9(3)4)18-19-11/h6,8-9,12H,5,7H2,1-4H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t12-/m0/s1.

What are the key properties of (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid?

(2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 324.38 g/mol, XLogP of 0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120695591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).