methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate

C15H27NO3 — CID 531445

IUPACmethyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19-3)16-14(17)9-8-12-6-4-5-7-12/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyJNEWIBUQLCHVIJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.66
Rot. Bonds7

About methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate

methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate (PubChem CID 531445) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
PubChem CID531445
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19-3)16-14(17)9-8-12-6-4-5-7-12/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyJNEWIBUQLCHVIJ-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate (CID 531445) is methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)CCC1CCCC1.
What is the InChIKey of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
The InChIKey is JNEWIBUQLCHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19-3)16-14(17)9-8-12-6-4-5-7-12/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate has a molecular weight of 269.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate is sourced from PubChem (CID 531445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).