methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate

C15H21NO4 — CID 101027737

IUPACmethyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
SMILESCCO[C@@H](C)[C@](C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-5-20-11(2)15(3,14(18)19-4)16-13(17)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,17)/t11-,15-/m0/s1
InChIKeyVHDSSFGAEDLMHN-NHYWBVRUSA-N
MW279.34 g/mol
LogP1.77
Rot. Bonds6

About methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate

methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate (PubChem CID 101027737) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
PubChem CID101027737
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
SMILESCCO[C@@H](C)[C@](C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-5-20-11(2)15(3,14(18)19-4)16-13(17)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,17)/t11-,15-/m0/s1
InChIKeyVHDSSFGAEDLMHN-NHYWBVRUSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2R)-2-benzamido-2-bromo-3,3-dimethylbutanoate
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methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
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propan-2-yl 2-benzamido-2-methyl-3-oxobutanoate
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dimethyl 2-benzamido-2-(2-methyl-1-phenylmethoxypropyl)propanedioate
CID 102275089
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl (2R,3S)-2-(2-benzoylhydrazinyl)-2,3-dimethylpent-4-enoate
CID 102456070
N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide
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CID 15562203

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate?
The IUPAC name of methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate (CID 101027737) is methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate.
What is the SMILES notation for methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate?
The canonical SMILES for methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate is CCO[C@@H](C)[C@](C)(NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate?
The InChIKey is VHDSSFGAEDLMHN-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-20-11(2)15(3,14(18)19-4)16-13(17)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,17)/t11-,15-/m0/s1.
What are the key properties of methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate?
methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate has a molecular weight of 279.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate is sourced from PubChem (CID 101027737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).