2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid

C14H18FNO4 — CID 63701432

IUPAC2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-5-16(9(2)17)14(3,13(18)19)10-6-7-12(20-4)11(15)8-10/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeySPYZPZRCZAMDRC-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.00
Rot. Bonds5

About 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid

2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid (PubChem CID 63701432) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
PubChem CID63701432
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid
SMILESCCN(C(C)=O)C(C)(C(=O)O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-5-16(9(2)17)14(3,13(18)19)10-6-7-12(20-4)11(15)8-10/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeySPYZPZRCZAMDRC-UHFFFAOYSA-N
XLogP2.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 43803665
2-[acetyl(ethyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 63703764
2-[acetyl(ethyl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63701939
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
2-[acetyl(propyl)amino]-2-(3-methoxyphenyl)propanoic acid
CID 63701649
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid (CID 63701432) is 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid is CCN(C(C)=O)C(C)(C(=O)O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
The InChIKey is SPYZPZRCZAMDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-5-16(9(2)17)14(3,13(18)19)10-6-7-12(20-4)11(15)8-10/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid?
2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(3-fluoro-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 63701432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).