benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate

C16H23NO4 — CID 163255717

IUPACbenzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate
SMILESCON(C)C(=O)CCC[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-13(8-7-11-15(18)17(2)20-3)16(19)21-12-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/t13-/m1/s1
InChIKeyKSKNDCHOVBBVJS-CYBMUJFWSA-N
MW293.36 g/mol
LogP2.56
Rot. Bonds8

About benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate

benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate (PubChem CID 163255717) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate.

Molecular Properties

Compound Namebenzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate
PubChem CID163255717
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namebenzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate
SMILESCON(C)C(=O)CCC[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-13(8-7-11-15(18)17(2)20-3)16(19)21-12-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/t13-/m1/s1
InChIKeyKSKNDCHOVBBVJS-CYBMUJFWSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 91041823
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CID 58120009
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CID 59544023
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CID 102381310
5-(dibenzylamino)-N-methoxy-N-methylpentanamide
CID 87659903
benzyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10469699
benzyl 2-methylhex-5-enoate
CID 14713099
benzyl 2-methyl-3-phenylpropanoate;ethane;methoxyethane;methoxymethane
CID 160695474
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
benzyl 2,5-dimethyltetradecanoate
CID 177381525

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate?
The IUPAC name of benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate (CID 163255717) is benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate.
What is the SMILES notation for benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate?
The canonical SMILES for benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate is CON(C)C(=O)CCC[C@@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate?
The InChIKey is KSKNDCHOVBBVJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-13(8-7-11-15(18)17(2)20-3)16(19)21-12-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate?
benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate has a molecular weight of 293.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate is sourced from PubChem (CID 163255717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).