methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate

C15H26N2O4 — CID 79827501

IUPACmethyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(C)C(=O)NC2CCCC2)CCO1
InChIInChI=1S/C15H26N2O4/c1-11(15(19)16-12-5-3-4-6-12)17-7-8-21-13(10-17)9-14(18)20-2/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyHFCAFAAMBAQZPJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.70
Rot. Bonds5

About methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate

methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate (PubChem CID 79827501) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
PubChem CID79827501
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(C)C(=O)NC2CCCC2)CCO1
InChIInChI=1S/C15H26N2O4/c1-11(15(19)16-12-5-3-4-6-12)17-7-8-21-13(10-17)9-14(18)20-2/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyHFCAFAAMBAQZPJ-UHFFFAOYSA-N
XLogP0.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate (CID 79827501) is methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate is COC(=O)CC1CN(C(C)C(=O)NC2CCCC2)CCO1.
What is the InChIKey of methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
The InChIKey is HFCAFAAMBAQZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(15(19)16-12-5-3-4-6-12)17-7-8-21-13(10-17)9-14(18)20-2/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate?
methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate has a molecular weight of 298.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate is sourced from PubChem (CID 79827501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).