nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate

C18H33NO4 — CID 91722454

IUPACnonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1(NC(=O)OCC)CCCC1
InChIInChI=1S/C18H33NO4/c1-3-5-6-7-8-9-12-15-23-16(20)18(13-10-11-14-18)19-17(21)22-4-2/h3-15H2,1-2H3,(H,19,21)
InChIKeyICNAZVYEKKADNK-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.34
Rot. Bonds11

About nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate

nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 91722454) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namenonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID91722454
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Namenonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1(NC(=O)OCC)CCCC1
InChIInChI=1S/C18H33NO4/c1-3-5-6-7-8-9-12-15-23-16(20)18(13-10-11-14-18)19-17(21)22-4-2/h3-15H2,1-2H3,(H,19,21)
InChIKeyICNAZVYEKKADNK-UHFFFAOYSA-N
XLogP4.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734591
heptyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734431
octyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734443
decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459
undecyl 1-(propoxycarbonylamino)cyclopentane-1-carboxylate
CID 91725486
pentadecyl 1-(2-chloroethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91730534
dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728465
tridecyl 1-(2,2-dimethylpropoxycarbonylamino)cyclopentane-1-carboxylate
CID 91732501
hexyl 1-(prop-2-ynoxycarbonylamino)cyclopentane-1-carboxylate
CID 91724285
tetradecyl 1-(prop-2-ynoxycarbonylamino)cyclopentane-1-carboxylate
CID 91724289
octyl 1-(but-2-ynoxycarbonylamino)cyclopentane-1-carboxylate
CID 91727342

Frequently Asked Questions

What is the IUPAC name of nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate (CID 91722454) is nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate is CCCCCCCCCOC(=O)C1(NC(=O)OCC)CCCC1.
What is the InChIKey of nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is ICNAZVYEKKADNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-3-5-6-7-8-9-12-15-23-16(20)18(13-10-11-14-18)19-17(21)22-4-2/h3-15H2,1-2H3,(H,19,21).
What are the key properties of nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate?
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 91722454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).