methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate

C12H15NO4 — CID 102152083

IUPACmethyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)[C@](C)(CO)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-12(8-14,11(16)17-2)13-10(15)9-6-4-3-5-7-9/h3-7,14H,8H2,1-2H3,(H,13,15)/t12-/m0/s1
InChIKeyJTXXSWNWRBNIPV-LBPRGKRZSA-N
MW237.26 g/mol
LogP0.34
Rot. Bonds4

About methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate

methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate (PubChem CID 102152083) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
PubChem CID102152083
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Namemethyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)[C@](C)(CO)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-12(8-14,11(16)17-2)13-10(15)9-6-4-3-5-7-9/h3-7,14H,8H2,1-2H3,(H,13,15)/t12-/m0/s1
InChIKeyJTXXSWNWRBNIPV-LBPRGKRZSA-N
XLogP0.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
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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N-[3-(hydroxymethyl)pentan-3-yl]benzamide
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methyl (2S)-2-benzamido-2-bromo-3,3,3-trifluoropropanoate
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methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
CID 101027737
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
N-(1-bromo-2-methylpropan-2-yl)benzamide
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methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
methyl 2-benzamido-3,3-dichloro-2-methoxypropanoate
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CID 11417836

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate (CID 102152083) is methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate is COC(=O)[C@](C)(CO)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate?
The InChIKey is JTXXSWNWRBNIPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(8-14,11(16)17-2)13-10(15)9-6-4-3-5-7-9/h3-7,14H,8H2,1-2H3,(H,13,15)/t12-/m0/s1.
What are the key properties of methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate?
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate has a molecular weight of 237.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 102152083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).