(2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid

C20H33N5O6 — CID 139449526

About (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid

(2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid (PubChem CID 139449526) has the molecular formula C20H33N5O6 and a molecular weight of 439.51 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid
• PubChem CID: 139449526
• Molecular Formula: C20H33N5O6
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.24
• IUPAC Name: (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid
• SMILES: C=C(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)CCC(N)=O)C(=O)N[C@@H](C(=O)O)C(C)C
• InChI: InChI=1S/C20H33N5O6/c1-10(2)15(18(28)24-16(11(3)4)20(30)31)23-17(27)13-6-5-9-25(13)19(29)12(21)7-8-14(22)26/h11-13,15-16H,1,5-9,21H2,2-4H3,(H2,22,26)(H,23,27)(H,24,28)(H,30,31)/t12-,13-,15-,16-/m1/s1
• InChIKey: KDGAZFCMUBEGJY-RRCSTGOVSA-N
• XLogP: -1.14
• TPSA: 184.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	-1.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid?

The IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid (CID 139449526) is (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid.

What is the SMILES notation for (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid?

The canonical SMILES for (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid is C=C(C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)CCC(N)=O)C(=O)N[C@@H](C(=O)O)C(C)C.

What is the InChIKey of (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid?

The InChIKey is KDGAZFCMUBEGJY-RRCSTGOVSA-N. The full InChI is InChI=1S/C20H33N5O6/c1-10(2)15(18(28)24-16(11(3)4)20(30)31)23-17(27)13-6-5-9-25(13)19(29)12(21)7-8-14(22)26/h11-13,15-16H,1,5-9,21H2,2-4H3,(H2,22,26)(H,23,27)(H,24,28)(H,30,31)/t12-,13-,15-,16-/m1/s1.

What are the key properties of (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid?

(2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid has a molecular weight of 439.51 g/mol, XLogP of -1.14, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbut-3-enoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 139449526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).