2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate

C15H27NO3 — CID 91692222

IUPAC2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)11-19-15(18)10-16(3)14(17)9-8-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3
InChIKeyCGTCBOUATQPIAS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds7

About 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate

2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate (PubChem CID 91692222) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
PubChem CID91692222
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)11-19-15(18)10-16(3)14(17)9-8-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3
InChIKeyCGTCBOUATQPIAS-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate (CID 91692222) is 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate is CC(C)COC(=O)CN(C)C(=O)CCC1CCCC1.
What is the InChIKey of 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The InChIKey is CGTCBOUATQPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)11-19-15(18)10-16(3)14(17)9-8-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate is sourced from PubChem (CID 91692222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).