(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid

C16H17NO2 — CID 29061371

IUPAC(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
SMILESNC[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO2/c17-11-15(16(18)19)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m1/s1
InChIKeyLGXCBYBDNGJBSO-OAHLLOKOSA-N
MW255.32 g/mol
LogP2.56
Rot. Bonds5

About (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid

(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid (PubChem CID 29061371) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
PubChem CID29061371
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
SMILESNC[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17NO2/c17-11-15(16(18)19)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m1/s1
InChIKeyLGXCBYBDNGJBSO-OAHLLOKOSA-N
XLogP2.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(aminomethyl)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 170897457
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
(2R)-2-(aminomethyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 42079765
(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid
CID 142061345
(2S)-2-(azaniumylmethyl)-3-(4-phenylphenyl)propanoate
CID 29061373
(2R)-2-(azaniumylmethyl)-3-(4-phenylphenyl)propanoate
CID 29061370
4-amino-2-benzylbutanoic acid
CID 16679765
(4S)-2,2,6,6-tetramethyl-4-[(4-phenylphenyl)methyl]heptan-3-one
CID 163649343
2-[[ethyl(hydroxy)phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid
CID 90197101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid (CID 29061371) is (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid is NC[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid?
The InChIKey is LGXCBYBDNGJBSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c17-11-15(16(18)19)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid?
(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 29061371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).