methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate

C11H13NO4 — CID 89196821

IUPACmethyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1cccc(CN=O)c1
InChIInChI=1S/C11H13NO4/c1-8(11(13)15-2)16-10-5-3-4-9(6-10)7-12-14/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyAPXJVXXHXPKWAM-MRVPVSSYSA-N
MW223.23 g/mol
LogP1.89
Rot. Bonds5

About methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate

methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate (PubChem CID 89196821) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate
PubChem CID89196821
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate
SMILESCOC(=O)[C@@H](C)Oc1cccc(CN=O)c1
InChIInChI=1S/C11H13NO4/c1-8(11(13)15-2)16-10-5-3-4-9(6-10)7-12-14/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyAPXJVXXHXPKWAM-MRVPVSSYSA-N
XLogP1.89
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[3-(bromomethyl)phenoxy]propanoate
CID 86674593
methyl 2-[3-(2-bromoethyl)phenoxy]propanoate
CID 89264130
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
1,3-bis(nitrosomethyl)benzene
CID 54558218
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 23220275

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate?
The IUPAC name of methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate (CID 89196821) is methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate.
What is the SMILES notation for methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate?
The canonical SMILES for methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate is COC(=O)[C@@H](C)Oc1cccc(CN=O)c1.
What is the InChIKey of methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate?
The InChIKey is APXJVXXHXPKWAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(11(13)15-2)16-10-5-3-4-9(6-10)7-12-14/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate?
methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate has a molecular weight of 223.23 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate is sourced from PubChem (CID 89196821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).