methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate

C14H19NO4 — CID 10778083

IUPACmethyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
SMILESCC[C@](C)(O)C(=O)N[C@@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-4-14(2,18)13(17)15-11(12(16)19-3)10-8-6-5-7-9-10/h5-9,11,18H,4H2,1-3H3,(H,15,17)/t11-,14+/m1/s1
InChIKeyUYOBNQJQYCAESL-RISCZKNCSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds5

About methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate

methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate (PubChem CID 10778083) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
PubChem CID10778083
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
SMILESCC[C@](C)(O)C(=O)N[C@@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-4-14(2,18)13(17)15-11(12(16)19-3)10-8-6-5-7-9-10/h5-9,11,18H,4H2,1-3H3,(H,15,17)/t11-,14+/m1/s1
InChIKeyUYOBNQJQYCAESL-RISCZKNCSA-N
XLogP1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
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methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate (CID 10778083) is methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate is CC[C@](C)(O)C(=O)N[C@@H](C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate?
The InChIKey is UYOBNQJQYCAESL-RISCZKNCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-14(2,18)13(17)15-11(12(16)19-3)10-8-6-5-7-9-10/h5-9,11,18H,4H2,1-3H3,(H,15,17)/t11-,14+/m1/s1.
What are the key properties of methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate?
methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate has a molecular weight of 265.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate is sourced from PubChem (CID 10778083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).