2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid

C16H25NO2 — CID 82328998

IUPAC2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
SMILESCC(C)CN(CCc1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-13(2)11-17(12-14(3)16(18)19)10-9-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)
InChIKeyKFXGPKHJMVZKAJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds8

About 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid

2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid (PubChem CID 82328998) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
PubChem CID82328998
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
SMILESCC(C)CN(CCc1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-13(2)11-17(12-14(3)16(18)19)10-9-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)
InChIKeyKFXGPKHJMVZKAJ-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
3-[1-carboxyethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 82329065
2-methyl-4-phenylbutanoic acid
CID 66896591
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
methyl (2S)-3-[(3-methoxy-3-oxopropyl)-(2-phenylethyl)amino]-2-methylpropanoate
CID 125496724
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980972
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate
CID 106484249
3-[benzyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82327569
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82329010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid (CID 82328998) is 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid is CC(C)CN(CCc1ccccc1)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid?
The InChIKey is KFXGPKHJMVZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)11-17(12-14(3)16(18)19)10-9-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid?
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid has a molecular weight of 263.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82328998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).