methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate

C17H17NO4 — CID 11312586

IUPACmethyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate
SMILESCOC(=O)[C@@H](CC(C)=O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO4/c1-11(19)9-15(17(21)22-2)18-16(20)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15H,9H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyYMBUAYHTDNNXAO-OAHLLOKOSA-N
MW299.33 g/mol
LogP2.09
Rot. Bonds5

About methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate

methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate (PubChem CID 11312586) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate
PubChem CID11312586
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate
SMILESCOC(=O)[C@@H](CC(C)=O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO4/c1-11(19)9-15(17(21)22-2)18-16(20)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15H,9H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyYMBUAYHTDNNXAO-OAHLLOKOSA-N
XLogP2.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate?
The IUPAC name of methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate (CID 11312586) is methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate.
What is the SMILES notation for methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate?
The canonical SMILES for methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate is COC(=O)[C@@H](CC(C)=O)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate?
The InChIKey is YMBUAYHTDNNXAO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(19)9-15(17(21)22-2)18-16(20)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15H,9H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate?
methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate has a molecular weight of 299.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(naphthalene-2-carbonylamino)-4-oxopentanoate is sourced from PubChem (CID 11312586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).