2-[(2-methyl-1-phenylpropyl)amino]butanoic acid

C14H21NO2 — CID 113292394

IUPAC2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
SMILESCCC(NC(c1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-12(14(16)17)15-13(10(2)3)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3,(H,16,17)
InChIKeyRPXXJEFYZPXFJD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds6

About 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid

2-[(2-methyl-1-phenylpropyl)amino]butanoic acid (PubChem CID 113292394) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
PubChem CID113292394
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
SMILESCCC(NC(c1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-12(14(16)17)15-13(10(2)3)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3,(H,16,17)
InChIKeyRPXXJEFYZPXFJD-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
CID 113292395
2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 122592350
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
CID 103922515
N'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 43425569
3-(ethylamino)-2-methyl-N-(2-methyl-1-phenylpropyl)propanamide
CID 62851824
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid?
The IUPAC name of 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid (CID 113292394) is 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid is CCC(NC(c1ccccc1)C(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid?
The InChIKey is RPXXJEFYZPXFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12(14(16)17)15-13(10(2)3)11-8-6-5-7-9-11/h5-10,12-13,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid?
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-phenylpropyl)amino]butanoic acid is sourced from PubChem (CID 113292394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).