prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate

C15H23NO5 — CID 121408919

IUPACprop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate
SMILESC=CCOC(=O)C1(C(N)C(=O)OC(C)(C)C)CCCC1=O
InChIInChI=1S/C15H23NO5/c1-5-9-20-13(19)15(8-6-7-10(15)17)11(16)12(18)21-14(2,3)4/h5,11H,1,6-9,16H2,2-4H3
InChIKeyKNMMHKJOOVGERX-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.12
Rot. Bonds5

About prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate

prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate (PubChem CID 121408919) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate
PubChem CID121408919
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nameprop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate
SMILESC=CCOC(=O)C1(C(N)C(=O)OC(C)(C)C)CCCC1=O
InChIInChI=1S/C15H23NO5/c1-5-9-20-13(19)15(8-6-7-10(15)17)11(16)12(18)21-14(2,3)4/h5,11H,1,6-9,16H2,2-4H3
InChIKeyKNMMHKJOOVGERX-UHFFFAOYSA-N
XLogP1.12
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate?
The IUPAC name of prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate (CID 121408919) is prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate is C=CCOC(=O)C1(C(N)C(=O)OC(C)(C)C)CCCC1=O.
What is the InChIKey of prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate?
The InChIKey is KNMMHKJOOVGERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-5-9-20-13(19)15(8-6-7-10(15)17)11(16)12(18)21-14(2,3)4/h5,11H,1,6-9,16H2,2-4H3.
What are the key properties of prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate?
prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 121408919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).