(2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid

C18H19NO4 — CID 134918941

IUPAC(2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid
SMILESC[C@@](COCc1ccccc1)(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO4/c1-18(17(21)22,13-23-12-14-8-4-2-5-9-14)19-16(20)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,20)(H,21,22)/t18-/m0/s1
InChIKeyYQPSRINUKGVABK-SFHVURJKSA-N
MW313.35 g/mol
LogP2.48
Rot. Bonds7

About (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid

(2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid (PubChem CID 134918941) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid
PubChem CID134918941
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid
SMILESC[C@@](COCc1ccccc1)(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO4/c1-18(17(21)22,13-23-12-14-8-4-2-5-9-14)19-16(20)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,20)(H,21,22)/t18-/m0/s1
InChIKeyYQPSRINUKGVABK-SFHVURJKSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid?
The IUPAC name of (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid (CID 134918941) is (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid.
What is the SMILES notation for (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid?
The canonical SMILES for (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid is C[C@@](COCc1ccccc1)(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid?
The InChIKey is YQPSRINUKGVABK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19NO4/c1-18(17(21)22,13-23-12-14-8-4-2-5-9-14)19-16(20)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,20)(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid?
(2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-2-methyl-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 134918941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).