methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate

C15H27NO3 — CID 129055705

IUPACmethyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate
SMILESCCCCCN(C)C(=O)C1CC(C)CC1C(=O)OC
InChIInChI=1S/C15H27NO3/c1-5-6-7-8-16(3)14(17)12-9-11(2)10-13(12)15(18)19-4/h11-13H,5-10H2,1-4H3
InChIKeyQLPSLLLCIWCGFB-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.47
Rot. Bonds6

About methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate

methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate (PubChem CID 129055705) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate
PubChem CID129055705
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate
SMILESCCCCCN(C)C(=O)C1CC(C)CC1C(=O)OC
InChIInChI=1S/C15H27NO3/c1-5-6-7-8-16(3)14(17)12-9-11(2)10-13(12)15(18)19-4/h11-13H,5-10H2,1-4H3
InChIKeyQLPSLLLCIWCGFB-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.47
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 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate (CID 129055705) is methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate is CCCCCN(C)C(=O)C1CC(C)CC1C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
The InChIKey is QLPSLLLCIWCGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-6-7-8-16(3)14(17)12-9-11(2)10-13(12)15(18)19-4/h11-13H,5-10H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate?
methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[methyl(pentyl)carbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 129055705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).