methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate

C10H19NO4 — CID 11424486

IUPACmethyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
SMILESCOC(=O)[C@@](C)(NC(C)=O)[C@@H](O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(13)10(4,9(14)15-5)11-7(3)12/h6,8,13H,1-5H3,(H,11,12)/t8-,10-/m0/s1
InChIKeyCNCLXTBASVATPR-WPRPVWTQSA-N
MW217.26 g/mol
LogP0.07
Rot. Bonds4

About methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate

methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate (PubChem CID 11424486) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
PubChem CID11424486
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
SMILESCOC(=O)[C@@](C)(NC(C)=O)[C@@H](O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)8(13)10(4,9(14)15-5)11-7(3)12/h6,8,13H,1-5H3,(H,11,12)/t8-,10-/m0/s1
InChIKeyCNCLXTBASVATPR-WPRPVWTQSA-N
XLogP0.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-2-acetamido-2-ethyl-3-hydroxy-4-methylpentanoate
CID 11322199
methyl (2S,3S)-2-acetamido-3-hydroxy-4-methyl-2-propylpentanoate
CID 11265077
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
methyl 2-acetamido-2-methyl-3-oxobutanoate
CID 87370623
methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
methyl 3-acetamido-2,2,3-trimethylbutanoate
CID 21299733
methyl (2R,3S)-2-acetamido-3-acetyloxy-2-methyl-3-phenylpropanoate
CID 40521530
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
methyl (2R)-3-acetamido-2-hydroxy-3-methylbutanoate
CID 102460935
2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
CID 174336215
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate?
The IUPAC name of methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate (CID 11424486) is methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate.
What is the SMILES notation for methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate?
The canonical SMILES for methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate is COC(=O)[C@@](C)(NC(C)=O)[C@@H](O)C(C)C.
What is the InChIKey of methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate?
The InChIKey is CNCLXTBASVATPR-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)8(13)10(4,9(14)15-5)11-7(3)12/h6,8,13H,1-5H3,(H,11,12)/t8-,10-/m0/s1.
What are the key properties of methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate?
methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate has a molecular weight of 217.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate is sourced from PubChem (CID 11424486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).