pentyl 6-(methoxycarbonylamino)hexanoate

C13H25NO4 — CID 91699204

IUPACpentyl 6-(methoxycarbonylamino)hexanoate
SMILESCCCCCOC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C13H25NO4/c1-3-4-8-11-18-12(15)9-6-5-7-10-14-13(16)17-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyMBJLAGWKJWGSCR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds10

About pentyl 6-(methoxycarbonylamino)hexanoate

pentyl 6-(methoxycarbonylamino)hexanoate (PubChem CID 91699204) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is pentyl 6-(methoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namepentyl 6-(methoxycarbonylamino)hexanoate
PubChem CID91699204
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namepentyl 6-(methoxycarbonylamino)hexanoate
SMILESCCCCCOC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C13H25NO4/c1-3-4-8-11-18-12(15)9-6-5-7-10-14-13(16)17-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyMBJLAGWKJWGSCR-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pentyl 6-(methoxycarbonylamino)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

decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
4-nonanoyloxybutylcarbamic acid
CID 57088848
dodecyl 6-acetamidohexanoate
CID 21259378
4-decanoyloxybutylcarbamic acid
CID 57087634
octadecyl 12-[(12-octadecoxy-12-oxododecyl)carbamoylcarbamoylamino]dodecanoate
CID 173404500
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
undecyl 6-(2-methylpropoxycarbonylamino)hexanoate
CID 91740915
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
octyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716837
nonyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91739008
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
tetradecyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716852

Frequently Asked Questions

What is the IUPAC name of pentyl 6-(methoxycarbonylamino)hexanoate?
The IUPAC name of pentyl 6-(methoxycarbonylamino)hexanoate (CID 91699204) is pentyl 6-(methoxycarbonylamino)hexanoate.
What is the SMILES notation for pentyl 6-(methoxycarbonylamino)hexanoate?
The canonical SMILES for pentyl 6-(methoxycarbonylamino)hexanoate is CCCCCOC(=O)CCCCCNC(=O)OC.
What is the InChIKey of pentyl 6-(methoxycarbonylamino)hexanoate?
The InChIKey is MBJLAGWKJWGSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-4-8-11-18-12(15)9-6-5-7-10-14-13(16)17-2/h3-11H2,1-2H3,(H,14,16).
What are the key properties of pentyl 6-(methoxycarbonylamino)hexanoate?
pentyl 6-(methoxycarbonylamino)hexanoate has a molecular weight of 259.35 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 6-(methoxycarbonylamino)hexanoate is sourced from PubChem (CID 91699204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).