(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid

C16H18N2O2 — CID 139580030

IUPAC(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
SMILESCc1cccc(C)c1-c1cncc([C@H](N)CC(=O)O)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-3-5-11(2)16(10)13-6-12(8-18-9-13)14(17)7-15(19)20/h3-6,8-9,14H,7,17H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyBJDQBKZXRDCWOM-CQSZACIVSA-N
MW270.33 g/mol
LogP2.84
Rot. Bonds4

About (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid

(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid (PubChem CID 139580030) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
PubChem CID139580030
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
SMILESCc1cccc(C)c1-c1cncc([C@H](N)CC(=O)O)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-3-5-11(2)16(10)13-6-12(8-18-9-13)14(17)7-15(19)20/h3-6,8-9,14H,7,17H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyBJDQBKZXRDCWOM-CQSZACIVSA-N
XLogP2.84
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;ethane
CID 153352746
(3S)-3-amino-3-[3-(2,6-dimethylphenyl)-5-fluorophenyl]propanoic acid
CID 135366884
methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate
CID 175085515
3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 163260414
3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
CID 84669672
3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 156728764
(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[2-(5-methyl-2-oxopiperidin-1-yl)acetyl]amino]propanoic acid
CID 156728846
3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid;ethane
CID 156728763
(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2R)-2-(5-methyl-2-oxo-1-pyridinyl)-2-phenylacetyl]amino]propanoic acid
CID 139579971
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[3-methyl-2-(4-methyl-2-oxo-1-pyridinyl)butanoyl]amino]propanoic acid
CID 146186699

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid?
The IUPAC name of (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid (CID 139580030) is (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid is Cc1cccc(C)c1-c1cncc([C@H](N)CC(=O)O)c1.
What is the InChIKey of (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid?
The InChIKey is BJDQBKZXRDCWOM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-3-5-11(2)16(10)13-6-12(8-18-9-13)14(17)7-15(19)20/h3-6,8-9,14H,7,17H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid?
(3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 139580030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).