cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate

C13H21NO3 — CID 56808599

IUPACcyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate
SMILESCC1CC1C(=O)NCCC(=O)OC1CCCC1
InChIInChI=1S/C13H21NO3/c1-9-8-11(9)13(16)14-7-6-12(15)17-10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,14,16)
InChIKeyACJCWESSMFSMIZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.63
Rot. Bonds5

About cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate

cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate (PubChem CID 56808599) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate.

Molecular Properties

Compound Namecyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate
PubChem CID56808599
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namecyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate
SMILESCC1CC1C(=O)NCCC(=O)OC1CCCC1
InChIInChI=1S/C13H21NO3/c1-9-8-11(9)13(16)14-7-6-12(15)17-10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,14,16)
InChIKeyACJCWESSMFSMIZ-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate?
The IUPAC name of cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate (CID 56808599) is cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate.
What is the SMILES notation for cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate?
The canonical SMILES for cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate is CC1CC1C(=O)NCCC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate?
The InChIKey is ACJCWESSMFSMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-8-11(9)13(16)14-7-6-12(15)17-10-4-2-3-5-10/h9-11H,2-8H2,1H3,(H,14,16).
What are the key properties of cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate?
cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate has a molecular weight of 239.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-[(2-methylcyclopropanecarbonyl)amino]propanoate is sourced from PubChem (CID 56808599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).