(2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate

C18H29N3O10 — CID 140623425

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate
SMILESCOCCOC(=O)NCCCCC(NC(=O)OCCOC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H29N3O10/c1-27-9-11-29-17(25)19-8-4-3-5-13(20-18(26)30-12-10-28-2)16(24)31-21-14(22)6-7-15(21)23/h13H,3-12H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyYFQQIOVVSGQJHC-UHFFFAOYSA-N
MW447.44 g/mol
LogP-0.12
Rot. Bonds14

About (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate

(2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate (PubChem CID 140623425) has the molecular formula C18H29N3O10 and a molecular weight of 447.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate
PubChem CID140623425
Molecular FormulaC18H29N3O10
Molecular Weight447.44 g/mol
Exact Mass447.19
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate
SMILESCOCCOC(=O)NCCCCC(NC(=O)OCCOC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H29N3O10/c1-27-9-11-29-17(25)19-8-4-3-5-13(20-18(26)30-12-10-28-2)16(24)31-21-14(22)6-7-15(21)23/h13H,3-12H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyYFQQIOVVSGQJHC-UHFFFAOYSA-N
XLogP-0.12
TPSA158.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbamic acid,[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1,5-pentanediyl]bis-,bis(1,1-dimethylethyl) ester, (R)-
CID 97960525
2,5-Dioxopyrrolidin-1-yl N~2~,N~6~-bis(tert-butoxycarbonyl)-L-lysinate
CID 13875534
2,5-dioxopyrrolidin-1-yl N2,N6-diacetyllysinate
CID 59434220
Na-Boc-Ne-trifluoroacetyl-L-lysine N-hydroxysuccinimide ester
CID 294908
Boc-lys(tfa)-osu
CID 22870130
Boc-D-Lys(Tfa)-OSu
CID 98466149
(2,5-Dioxopyrrolidin-1-yl) 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 5017316
(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 12876464
Boc-Lys-OSu
CID 12876465
2,5-Dioxopyrrolidin-1-yl (S)-2-((tert-butoxycarbonyl)amino)hexanoate
CID 13605342
(2,5-Dioxopyrrolidin-1-yl) 2,6-bis(methylamino)hexanoate
CID 18339260
(2,5-Dioxopyrrolidin-1-yl) 2,6-bis(methoxycarbonylamino)hexanoate
CID 21042081

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate (CID 140623425) is (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate is COCCOC(=O)NCCCCC(NC(=O)OCCOC)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate?
The InChIKey is YFQQIOVVSGQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O10/c1-27-9-11-29-17(25)19-8-4-3-5-13(20-18(26)30-12-10-28-2)16(24)31-21-14(22)6-7-15(21)23/h13H,3-12H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate?
(2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate has a molecular weight of 447.44 g/mol, XLogP of -0.12, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,6-bis(2-methoxyethoxycarbonylamino)hexanoate is sourced from PubChem (CID 140623425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).