(2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid

C20H19N3O3 — CID 10427887

IUPAC(2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)Nc1ncncc1OCc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-20(25)17(11-15-7-3-1-4-8-15)23-19-18(12-21-14-22-19)26-13-16-9-5-2-6-10-16/h1-10,12,14,17H,11,13H2,(H,24,25)(H,21,22,23)/t17-/m0/s1
InChIKeyIYDVIMWVENULKI-KRWDZBQOSA-N
MW349.39 g/mol
LogP3.16
Rot. Bonds8

About (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid

(2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid (PubChem CID 10427887) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid
PubChem CID10427887
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)Nc1ncncc1OCc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-20(25)17(11-15-7-3-1-4-8-15)23-19-18(12-21-14-22-19)26-13-16-9-5-2-6-10-16/h1-10,12,14,17H,11,13H2,(H,24,25)(H,21,22,23)/t17-/m0/s1
InChIKeyIYDVIMWVENULKI-KRWDZBQOSA-N
XLogP3.16
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[5-formyl-6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 86604690
(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-phenylethyl)pyrimidin-4-yl]amino]propanoic acid
CID 10160058
2-[[3-benzyl-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]amino]-3-phenylpropanoic acid
CID 135364521
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608
(2S)-2-[[5-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 10050109
3-phenyl-2-[[6-[4-(pyridin-4-ylmethoxy)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629209
(2R)-2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 122050626
2,2-dimethyl-5-[[(5-phenylmethoxypyrimidin-4-yl)amino]methylidene]-1,3-dioxane-4,6-dione
CID 14294847
(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
CID 10179561
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid (CID 10427887) is (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid is O=C(O)[C@H](Cc1ccccc1)Nc1ncncc1OCc1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid?
The InChIKey is IYDVIMWVENULKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(25)17(11-15-7-3-1-4-8-15)23-19-18(12-21-14-22-19)26-13-16-9-5-2-6-10-16/h1-10,12,14,17H,11,13H2,(H,24,25)(H,21,22,23)/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid?
(2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid has a molecular weight of 349.39 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(5-phenylmethoxypyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 10427887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).