3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid

C12H15NO4 — CID 67924023

IUPAC3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccccc1COC(N)=O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(11(14)15)6-9-4-2-3-5-10(9)7-17-12(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyAUWIDMUXMFLLMN-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.55
Rot. Bonds5

About 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid

3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid (PubChem CID 67924023) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
PubChem CID67924023
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccccc1COC(N)=O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(11(14)15)6-9-4-2-3-5-10(9)7-17-12(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,15)
InChIKeyAUWIDMUXMFLLMN-UHFFFAOYSA-N
XLogP1.55
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 117461801
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid
CID 115112820
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate
CID 134232903

Frequently Asked Questions

What is the IUPAC name of 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid (CID 67924023) is 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid is CC(Cc1ccccc1COC(N)=O)C(=O)O.
What is the InChIKey of 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is AUWIDMUXMFLLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(11(14)15)6-9-4-2-3-5-10(9)7-17-12(13)16/h2-5,8H,6-7H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid?
3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(carbamoyloxymethyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 67924023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).