2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid

C16H25NO2 — CID 82329010

IUPAC2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
SMILESCC(C)CN(CC(C)C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-17(11-13(3)16(18)19)14(4)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,18,19)
InChIKeyMIQHKSCVOIAWEX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds7

About 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid

2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid (PubChem CID 82329010) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
PubChem CID82329010
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
SMILESCC(C)CN(CC(C)C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-17(11-13(3)16(18)19)14(4)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,18,19)
InChIKeyMIQHKSCVOIAWEX-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
3-[ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65060726
3-[butan-2-yl(1-phenylethyl)amino]-2-methylpropanoic acid
CID 82328455
3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
CID 65061408
3-[ethyl-(3-methyl-1-phenylbutyl)amino]-2-methylpropanoic acid
CID 65061851
2-methyl-3-[4-methyl-N-(1-phenylethyl)anilino]propanoic acid
CID 82318350
3-[1-hydroxybutan-2-yl(1-phenylethyl)amino]-2-methylpropanoic acid
CID 82328472
2-methyl-3-[1-phenylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309949
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
CID 82329020
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
CID 65060873
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746
(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid (CID 82329010) is 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid is CC(C)CN(CC(C)C(=O)O)C(C)c1ccccc1.
What is the InChIKey of 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
The InChIKey is MIQHKSCVOIAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)10-17(11-13(3)16(18)19)14(4)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid?
2-methyl-3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.43, 7 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(1-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82329010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).