2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid

C12H15NO4 — CID 55233202

IUPAC2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
SMILESCCN(C=O)C(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-13(8-14)11(12(15)16)9-4-6-10(17-2)7-5-9/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyHMZMJXGAZIUNTL-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.30
Rot. Bonds6

About 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid

2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid (PubChem CID 55233202) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
PubChem CID55233202
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
SMILESCCN(C=O)C(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-3-13(8-14)11(12(15)16)9-4-6-10(17-2)7-5-9/h4-8,11H,3H2,1-2H3,(H,15,16)
InChIKeyHMZMJXGAZIUNTL-UHFFFAOYSA-N
XLogP1.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63688329
2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid
CID 14359896
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid (CID 55233202) is 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid is CCN(C=O)C(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid?
The InChIKey is HMZMJXGAZIUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-13(8-14)11(12(15)16)9-4-6-10(17-2)7-5-9/h4-8,11H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid?
2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid has a molecular weight of 237.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 55233202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).