3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid

C14H21NO3 — CID 65233656

IUPAC3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
SMILESCCNC(C)(CC(=O)O)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-15-14(2,10-13(16)17)9-11-7-5-6-8-12(11)18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyHLIBPQCQHKTFNQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds7

About 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid

3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid (PubChem CID 65233656) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
PubChem CID65233656
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
SMILESCCNC(C)(CC(=O)O)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-15-14(2,10-13(16)17)9-11-7-5-6-8-12(11)18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyHLIBPQCQHKTFNQ-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
4-(3,4-dimethoxyphenyl)-3-(ethylamino)-3-methylbutanoic acid
CID 65233704
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
CID 65237014
2-anilino-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61047342
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine
CID 80605039
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997285
3-(2-methoxyphenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 61341210
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 63688568
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid (CID 65233656) is 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid is CCNC(C)(CC(=O)O)Cc1ccccc1OC.
What is the InChIKey of 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid?
The InChIKey is HLIBPQCQHKTFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15-14(2,10-13(16)17)9-11-7-5-6-8-12(11)18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid?
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 65233656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).