methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate

C14H25NO3 — CID 129055706

IUPACmethyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate
SMILESCCCCCN(C)C(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C14H25NO3/c1-4-5-6-10-15(2)13(16)11-8-7-9-12(11)14(17)18-3/h11-12H,4-10H2,1-3H3
InChIKeyFRXHNOMICMPUIU-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate

methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate (PubChem CID 129055706) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate
PubChem CID129055706
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate
SMILESCCCCCN(C)C(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C14H25NO3/c1-4-5-6-10-15(2)13(16)11-8-7-9-12(11)14(17)18-3/h11-12H,4-10H2,1-3H3
InChIKeyFRXHNOMICMPUIU-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate (CID 129055706) is methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate is CCCCCN(C)C(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
The InChIKey is FRXHNOMICMPUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-5-6-10-15(2)13(16)11-8-7-9-12(11)14(17)18-3/h11-12H,4-10H2,1-3H3.
What are the key properties of methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 129055706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).