2-(ethylamino)-4-methyl-2-phenylpentanoic acid

C14H21NO2 — CID 43753793

IUPAC2-(ethylamino)-4-methyl-2-phenylpentanoic acid
SMILESCCNC(CC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-14(13(16)17,10-11(2)3)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3,(H,16,17)
InChIKeyWAMACQNNJKEYJW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds6

About 2-(ethylamino)-4-methyl-2-phenylpentanoic acid

2-(ethylamino)-4-methyl-2-phenylpentanoic acid (PubChem CID 43753793) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-2-phenylpentanoic acid
PubChem CID43753793
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(ethylamino)-4-methyl-2-phenylpentanoic acid
SMILESCCNC(CC(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15-14(13(16)17,10-11(2)3)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3,(H,16,17)
InChIKeyWAMACQNNJKEYJW-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2-methylpropylamino)-2-phenylpentanoic acid
CID 61002300
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106925188
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanamide
CID 107771710
methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate
CID 61002861

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-2-phenylpentanoic acid?
The IUPAC name of 2-(ethylamino)-4-methyl-2-phenylpentanoic acid (CID 43753793) is 2-(ethylamino)-4-methyl-2-phenylpentanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-methyl-2-phenylpentanoic acid?
The canonical SMILES for 2-(ethylamino)-4-methyl-2-phenylpentanoic acid is CCNC(CC(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-methyl-2-phenylpentanoic acid?
The InChIKey is WAMACQNNJKEYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15-14(13(16)17,10-11(2)3)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(ethylamino)-4-methyl-2-phenylpentanoic acid?
2-(ethylamino)-4-methyl-2-phenylpentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-2-phenylpentanoic acid is sourced from PubChem (CID 43753793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).