2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate

C17H31NO3 — CID 91696235

IUPAC2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate
SMILESCC(C)COC(=O)C(NC(=O)CCC1CCCC1)C(C)C
InChIInChI=1S/C17H31NO3/c1-12(2)11-21-17(20)16(13(3)4)18-15(19)10-9-14-7-5-6-8-14/h12-14,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyVXMFHAIWAMMATP-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.30
Rot. Bonds8

About 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate

2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate (PubChem CID 91696235) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate.

Molecular Properties

Compound Name2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate
PubChem CID91696235
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate
SMILESCC(C)COC(=O)C(NC(=O)CCC1CCCC1)C(C)C
InChIInChI=1S/C17H31NO3/c1-12(2)11-21-17(20)16(13(3)4)18-15(19)10-9-14-7-5-6-8-14/h12-14,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyVXMFHAIWAMMATP-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate?
The IUPAC name of 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate (CID 91696235) is 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate.
What is the SMILES notation for 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate?
The canonical SMILES for 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate is CC(C)COC(=O)C(NC(=O)CCC1CCCC1)C(C)C.
What is the InChIKey of 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate?
The InChIKey is VXMFHAIWAMMATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-12(2)11-21-17(20)16(13(3)4)18-15(19)10-9-14-7-5-6-8-14/h12-14,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate?
2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate has a molecular weight of 297.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(3-cyclopentylpropanoylamino)-3-methylbutanoate is sourced from PubChem (CID 91696235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).