methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate

C15H27NO4 — CID 123520214

IUPACmethyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate
SMILESCCC(CC)C(NC(C)=O)C1CCC(C(=O)OC)C1O
InChIInChI=1S/C15H27NO4/c1-5-10(6-2)13(16-9(3)17)11-7-8-12(14(11)18)15(19)20-4/h10-14,18H,5-8H2,1-4H3,(H,16,17)
InChIKeyDOSAIKHHUWGTEH-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.49
Rot. Bonds6

About methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate

methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate (PubChem CID 123520214) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate
PubChem CID123520214
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate
SMILESCCC(CC)C(NC(C)=O)C1CCC(C(=O)OC)C1O
InChIInChI=1S/C15H27NO4/c1-5-10(6-2)13(16-9(3)17)11-7-8-12(14(11)18)15(19)20-4/h10-14,18H,5-8H2,1-4H3,(H,16,17)
InChIKeyDOSAIKHHUWGTEH-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate (CID 123520214) is methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate is CCC(CC)C(NC(C)=O)C1CCC(C(=O)OC)C1O.
What is the InChIKey of methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is DOSAIKHHUWGTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-5-10(6-2)13(16-9(3)17)11-7-8-12(14(11)18)15(19)20-4/h10-14,18H,5-8H2,1-4H3,(H,16,17).
What are the key properties of methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate?
methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 123520214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).