(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid

C20H25NO2 — CID 120511517

IUPAC(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
SMILESCC(CCc1ccccc1)CN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H25NO2/c1-16(12-13-17-8-4-2-5-9-17)15-21-19(20(22)23)14-18-10-6-3-7-11-18/h2-11,16,19,21H,12-15H2,1H3,(H,22,23)/t16?,19-/m1/s1
InChIKeyBSNUXJNJPJGTIN-LRTDYKAYSA-N
MW311.43 g/mol
LogP3.54
Rot. Bonds9

About (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid

(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid (PubChem CID 120511517) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
PubChem CID120511517
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
SMILESCC(CCc1ccccc1)CN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H25NO2/c1-16(12-13-17-8-4-2-5-9-17)15-21-19(20(22)23)14-18-10-6-3-7-11-18/h2-11,16,19,21H,12-15H2,1H3,(H,22,23)/t16?,19-/m1/s1
InChIKeyBSNUXJNJPJGTIN-LRTDYKAYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
(2S)-2-[[(2S)-1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl]amino]-3-phenylpropanoic acid
CID 15228253
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid
CID 122037987
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-2-(2-ethylhexylamino)-3-phenylpropanoic acid
CID 68969533
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
benzyl (2S)-2-[2-[[(2S)-2-amino-4-phenylbutanoyl]amino]propanoylamino]-3-phenylpropanoate
CID 144576469
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid (CID 120511517) is (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid is CC(CCc1ccccc1)CN[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid?
The InChIKey is BSNUXJNJPJGTIN-LRTDYKAYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(12-13-17-8-4-2-5-9-17)15-21-19(20(22)23)14-18-10-6-3-7-11-18/h2-11,16,19,21H,12-15H2,1H3,(H,22,23)/t16?,19-/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid has a molecular weight of 311.43 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 120511517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).