(2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate

C14H21N3O7 — CID 58871710

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate
SMILESCOC(=O)NC(CCCCNC(C)=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H21N3O7/c1-9(18)15-8-4-3-5-10(16-14(22)23-2)13(21)24-17-11(19)6-7-12(17)20/h10H,3-8H2,1-2H3,(H,15,18)(H,16,22)
InChIKeyWIZSWKLQKHCPDG-UHFFFAOYSA-N
MW343.34 g/mol
LogP-0.38
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate (PubChem CID 58871710) has the molecular formula C14H21N3O7 and a molecular weight of 343.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate
PubChem CID58871710
Molecular FormulaC14H21N3O7
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate
SMILESCOC(=O)NC(CCCCNC(C)=O)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H21N3O7/c1-9(18)15-8-4-3-5-10(16-14(22)23-2)13(21)24-17-11(19)6-7-12(17)20/h10H,3-8H2,1-2H3,(H,15,18)(H,16,22)
InChIKeyWIZSWKLQKHCPDG-UHFFFAOYSA-N
XLogP-0.38
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate (CID 58871710) is (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate is COC(=O)NC(CCCCNC(C)=O)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate?
The InChIKey is WIZSWKLQKHCPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O7/c1-9(18)15-8-4-3-5-10(16-14(22)23-2)13(21)24-17-11(19)6-7-12(17)20/h10H,3-8H2,1-2H3,(H,15,18)(H,16,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate has a molecular weight of 343.34 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-acetamido-2-(methoxycarbonylamino)hexanoate is sourced from PubChem (CID 58871710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).