2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid

C13H17NO5 — CID 63689435

IUPAC2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-14(8-15)12(13(16)17)9-5-10(18-2)7-11(6-9)19-3/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyMDLWDVVOZLCDQK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.31
Rot. Bonds7

About 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid

2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid (PubChem CID 63689435) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
PubChem CID63689435
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-14(8-15)12(13(16)17)9-5-10(18-2)7-11(6-9)19-3/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyMDLWDVVOZLCDQK-UHFFFAOYSA-N
XLogP1.31
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 55233202
2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 106528971
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-(7-chloro-1,3-benzodioxol-5-yl)-2-[ethyl(formyl)amino]acetic acid
CID 63688696
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid
CID 175245941
2-(4-chloro-2-fluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 114843784
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328
2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
CID 66129427
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
2-[formyl(methyl)amino]-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 63689458

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid (CID 63689435) is 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid is CCN(C=O)C(C(=O)O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid?
The InChIKey is MDLWDVVOZLCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-14(8-15)12(13(16)17)9-5-10(18-2)7-11(6-9)19-3/h5-8,12H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid?
2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid is sourced from PubChem (CID 63689435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).