methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate

C18H32N6O7 — CID 145085652

About methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate

methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate (PubChem CID 145085652) has the molecular formula C18H32N6O7 and a molecular weight of 444.49 g/mol. Its IUPAC name is methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate
• PubChem CID: 145085652
• Molecular Formula: C18H32N6O7
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.23
• IUPAC Name: methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate
• SMILES: CCC(CC)NC(=O)CNC(=O)CNC(=O)CN(CC(=O)OC)C(=O)CNC(=O)CN
• InChI: InChI=1S/C18H32N6O7/c1-4-12(5-2)23-15(27)8-20-14(26)7-21-16(28)10-24(11-18(30)31-3)17(29)9-22-13(25)6-19/h12H,4-11,19H2,1-3H3,(H,20,26)(H,21,28)(H,22,25)(H,23,27)
• InChIKey: RJFAKJKYBDOQQJ-UHFFFAOYSA-N
• XLogP: -3.40
• TPSA: 189.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	-3.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate?

The IUPAC name of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate (CID 145085652) is methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate.

What is the SMILES notation for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate?

The canonical SMILES for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate is CCC(CC)NC(=O)CNC(=O)CNC(=O)CN(CC(=O)OC)C(=O)CNC(=O)CN.

What is the InChIKey of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate?

The InChIKey is RJFAKJKYBDOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O7/c1-4-12(5-2)23-15(27)8-20-14(26)7-21-16(28)10-24(11-18(30)31-3)17(29)9-22-13(25)6-19/h12H,4-11,19H2,1-3H3,(H,20,26)(H,21,28)(H,22,25)(H,23,27).

What are the key properties of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate?

methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate has a molecular weight of 444.49 g/mol, XLogP of -3.40, 14 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate is sourced from PubChem (CID 145085652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).