methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate

C15H23NO3 — CID 101125242

IUPACmethyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NCc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)9-13(15(17)19-4)16-10-12-7-5-6-8-14(12)18-3/h5-8,11,13,16H,9-10H2,1-4H3/t13-/m1/s1
InChIKeyLGVGCORCVOTWIJ-CYBMUJFWSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds7

About methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate

methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate (PubChem CID 101125242) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
PubChem CID101125242
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NCc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)9-13(15(17)19-4)16-10-12-7-5-6-8-14(12)18-3/h5-8,11,13,16H,9-10H2,1-4H3/t13-/m1/s1
InChIKeyLGVGCORCVOTWIJ-CYBMUJFWSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]pentanoate
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2-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]methyl]benzoic acid
CID 103245773
methyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 43231106
methyl 2-[(2-hydroxy-3-methylphenyl)methylamino]-4-methylpentanoate
CID 112606468
methyl (2S,3S)-3-hydroxy-2-[(2-methoxyphenyl)methylamino]butanoate
CID 99791945
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
1,2-dimethoxybenzene;methyl 2-acetamido-4-methylpentanoate
CID 174673868
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
CID 94178980
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
CID 65067382
2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 43674958
methyl 2-[(3-cyano-2-fluorophenyl)methylamino]-4-methylpentanoate
CID 107114513

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate (CID 101125242) is methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NCc1ccccc1OC.
What is the InChIKey of methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate?
The InChIKey is LGVGCORCVOTWIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)9-13(15(17)19-4)16-10-12-7-5-6-8-14(12)18-3/h5-8,11,13,16H,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate?
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate is sourced from PubChem (CID 101125242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).