(2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide

C15H17N3O2 — CID 144781663

IUPAC(2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide
SMILESCOc1ccc(C(c2ccccc2)[C@H](N)C(N)=O)cn1
InChIInChI=1S/C15H17N3O2/c1-20-12-8-7-11(9-18-12)13(14(16)15(17)19)10-5-3-2-4-6-10/h2-9,13-14H,16H2,1H3,(H2,17,19)/t13?,14-/m0/s1
InChIKeyQQSZRLOFIPTKNO-KZUDCZAMSA-N
MW271.32 g/mol
LogP1.03
Rot. Bonds5

About (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide

(2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide (PubChem CID 144781663) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide
PubChem CID144781663
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide
SMILESCOc1ccc(C(c2ccccc2)[C@H](N)C(N)=O)cn1
InChIInChI=1S/C15H17N3O2/c1-20-12-8-7-11(9-18-12)13(14(16)15(17)19)10-5-3-2-4-6-10/h2-9,13-14H,16H2,1H3,(H2,17,19)/t13?,14-/m0/s1
InChIKeyQQSZRLOFIPTKNO-KZUDCZAMSA-N
XLogP1.03
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
(2S)-2-amino-3-(4-hydroxyphenyl)-3-phenylpropanamide
CID 90046511
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
2-(2-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937351
2-(6-methoxy-3-pyridinyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 104985033
(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid
CID 126685284
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
CID 114938478
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide (CID 144781663) is (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide is COc1ccc(C(c2ccccc2)[C@H](N)C(N)=O)cn1.
What is the InChIKey of (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide?
The InChIKey is QQSZRLOFIPTKNO-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-12-8-7-11(9-18-12)13(14(16)15(17)19)10-5-3-2-4-6-10/h2-9,13-14H,16H2,1H3,(H2,17,19)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide?
(2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 144781663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).