5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid

C37H71N3O5 — CID 10579953

About 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid

5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid (PubChem CID 10579953) has the molecular formula C37H71N3O5 and a molecular weight of 637.99 g/mol. Its IUPAC name is 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid
• PubChem CID: 10579953
• Molecular Formula: C37H71N3O5
• Molecular Weight: 637.99 g/mol
• Exact Mass: 637.54
• IUPAC Name: 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid
• SMILES: CCCCCCCCCCCCNC(=O)CC[C@@H](NC(=O)CC(C)(CC)CC(=O)O)C(=O)NCCCCCCCCCCCC
• InChI: InChI=1S/C37H71N3O5/c1-5-8-10-12-14-16-18-20-22-24-28-38-33(41)27-26-32(40-34(42)30-37(4,7-3)31-35(43)44)36(45)39-29-25-23-21-19-17-15-13-11-9-6-2/h32H,5-31H2,1-4H3,(H,38,41)(H,39,45)(H,40,42)(H,43,44)/t32-,37?/m1/s1
• InChIKey: YFYJZULEXJIATE-ZIQZBVCVSA-N
• XLogP: 8.61
• TPSA: 124.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 32
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.99
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid?

The IUPAC name of 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid (CID 10579953) is 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid.

What is the SMILES notation for 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid?

The canonical SMILES for 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid is CCCCCCCCCCCCNC(=O)CC[C@@H](NC(=O)CC(C)(CC)CC(=O)O)C(=O)NCCCCCCCCCCCC.

What is the InChIKey of 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid?

The InChIKey is YFYJZULEXJIATE-ZIQZBVCVSA-N. The full InChI is InChI=1S/C37H71N3O5/c1-5-8-10-12-14-16-18-20-22-24-28-38-33(41)27-26-32(40-34(42)30-37(4,7-3)31-35(43)44)36(45)39-29-25-23-21-19-17-15-13-11-9-6-2/h32H,5-31H2,1-4H3,(H,38,41)(H,39,45)(H,40,42)(H,43,44)/t32-,37?/m1/s1.

What are the key properties of 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid?

5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid has a molecular weight of 637.99 g/mol, XLogP of 8.61, 32 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 10579953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).