methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate

C13H26N2O4 — CID 141353879

IUPACmethyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate
SMILESCCCCC(CCCC)(NC(=O)OC)NC(=O)OC
InChIInChI=1S/C13H26N2O4/c1-5-7-9-13(10-8-6-2,14-11(16)18-3)15-12(17)19-4/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyLKFOSWPOCUEQAQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.78
Rot. Bonds8

About methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate

methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate (PubChem CID 141353879) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate
PubChem CID141353879
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Namemethyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate
SMILESCCCCC(CCCC)(NC(=O)OC)NC(=O)OC
InChIInChI=1S/C13H26N2O4/c1-5-7-9-13(10-8-6-2,14-11(16)18-3)15-12(17)19-4/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyLKFOSWPOCUEQAQ-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate?
The IUPAC name of methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate (CID 141353879) is methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate.
What is the SMILES notation for methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate?
The canonical SMILES for methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate is CCCCC(CCCC)(NC(=O)OC)NC(=O)OC.
What is the InChIKey of methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate?
The InChIKey is LKFOSWPOCUEQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-7-9-13(10-8-6-2,14-11(16)18-3)15-12(17)19-4/h5-10H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate?
methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate is sourced from PubChem (CID 141353879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).