1,3-dioxolan-2-ylmethyl 6-formamidohexanoate

C11H19NO5 — CID 142134217

IUPAC1,3-dioxolan-2-ylmethyl 6-formamidohexanoate
SMILESO=CNCCCCCC(=O)OCC1OCCO1
InChIInChI=1S/C11H19NO5/c13-9-12-5-3-1-2-4-10(14)17-8-11-15-6-7-16-11/h9,11H,1-8H2,(H,12,13)
InChIKeyNPYNPMLXRHOVHZ-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.21
Rot. Bonds9

About 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate

1,3-dioxolan-2-ylmethyl 6-formamidohexanoate (PubChem CID 142134217) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate.

Molecular Properties

Compound Name1,3-dioxolan-2-ylmethyl 6-formamidohexanoate
PubChem CID142134217
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1,3-dioxolan-2-ylmethyl 6-formamidohexanoate
SMILESO=CNCCCCCC(=O)OCC1OCCO1
InChIInChI=1S/C11H19NO5/c13-9-12-5-3-1-2-4-10(14)17-8-11-15-6-7-16-11/h9,11H,1-8H2,(H,12,13)
InChIKeyNPYNPMLXRHOVHZ-UHFFFAOYSA-N
XLogP0.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate 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

prop-2-enyl 6-formamidohexanoate
CID 12006461
propyl 7-formamidoheptanoate
CID 54319658
2,2-difluoroethyl 4-formamidobutanoate
CID 166769091
oxan-2-ylmethyl 6-acetamidohexanoate
CID 134050656
5-(2-formamidoethoxy)-5-oxopentanoic acid
CID 88935057
oxiran-2-ylmethyl 12-aminododecanoate
CID 139945465
oxiran-2-ylmethyl (Z)-tetradec-9-enoate
CID 171784698
oxiran-2-ylmethyl 11-sulfanylundecanoate
CID 139945469
oxiran-2-ylmethyl (8Z,12E)-8,13-dimethyl-21-(oxiran-2-yl)-20-oxohenicosa-8,12-dienoate
CID 54288567
oxiran-2-ylmethyl (E)-non-6-enoate
CID 102240268
bis(oxiran-2-ylmethyl) 7-ethenyloctadecanedioate
CID 126599656
N-(5-amino-5-sulfanylidenepentyl)formamide
CID 64992008

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
The IUPAC name of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate (CID 142134217) is 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate.
What is the SMILES notation for 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
The canonical SMILES for 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate is O=CNCCCCCC(=O)OCC1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
The InChIKey is NPYNPMLXRHOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c13-9-12-5-3-1-2-4-10(14)17-8-11-15-6-7-16-11/h9,11H,1-8H2,(H,12,13).
What are the key properties of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
1,3-dioxolan-2-ylmethyl 6-formamidohexanoate has a molecular weight of 245.27 g/mol, XLogP of 0.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate is sourced from PubChem (CID 142134217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).