2-amino-3-phenylpropanoic acid;7H-purine

C14H15N5O2 — CID 174643505

IUPAC2-amino-3-phenylpropanoic acid;7H-purine
SMILESNC(Cc1ccccc1)C(=O)O.c1ncc2[nH]cnc2n1
InChIInChI=1S/C9H11NO2.C5H4N4/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4-5(8-2-6-1)9-3-7-4/h1-5,8H,6,10H2,(H,11,12);1-3H,(H,6,7,8,9)
InChIKeyPXFYECDNJPUHSG-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-3-phenylpropanoic acid;7H-purine

2-amino-3-phenylpropanoic acid;7H-purine (PubChem CID 174643505) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;7H-purine.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;7H-purine
PubChem CID174643505
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-amino-3-phenylpropanoic acid;7H-purine
SMILESNC(Cc1ccccc1)C(=O)O.c1ncc2[nH]cnc2n1
InChIInChI=1S/C9H11NO2.C5H4N4/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4-5(8-2-6-1)9-3-7-4/h1-5,8H,6,10H2,(H,11,12);1-3H,(H,6,7,8,9)
InChIKeyPXFYECDNJPUHSG-UHFFFAOYSA-N
XLogP0.99
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;7H-purine?
The IUPAC name of 2-amino-3-phenylpropanoic acid;7H-purine (CID 174643505) is 2-amino-3-phenylpropanoic acid;7H-purine.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;7H-purine?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;7H-purine is NC(Cc1ccccc1)C(=O)O.c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;7H-purine?
The InChIKey is PXFYECDNJPUHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C5H4N4/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4-5(8-2-6-1)9-3-7-4/h1-5,8H,6,10H2,(H,11,12);1-3H,(H,6,7,8,9).
What are the key properties of 2-amino-3-phenylpropanoic acid;7H-purine?
2-amino-3-phenylpropanoic acid;7H-purine has a molecular weight of 285.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;7H-purine is sourced from PubChem (CID 174643505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).