2-morpholin-4-yl-3-phenylpropanoic acid

C13H17NO3 — CID 5191522

IUPAC2-morpholin-4-yl-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO3/c15-13(16)12(14-6-8-17-9-7-14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyBTTLNLDCDUTMQI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.01
Rot. Bonds4

About 2-morpholin-4-yl-3-phenylpropanoic acid

2-morpholin-4-yl-3-phenylpropanoic acid (PubChem CID 5191522) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-3-phenylpropanoic acid
PubChem CID5191522
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-morpholin-4-yl-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO3/c15-13(16)12(14-6-8-17-9-7-14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyBTTLNLDCDUTMQI-UHFFFAOYSA-N
XLogP1.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-3-phenylpropanoic acid?
The IUPAC name of 2-morpholin-4-yl-3-phenylpropanoic acid (CID 5191522) is 2-morpholin-4-yl-3-phenylpropanoic acid.
What is the SMILES notation for 2-morpholin-4-yl-3-phenylpropanoic acid?
The canonical SMILES for 2-morpholin-4-yl-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-3-phenylpropanoic acid?
The InChIKey is BTTLNLDCDUTMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12(14-6-8-17-9-7-14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of 2-morpholin-4-yl-3-phenylpropanoic acid?
2-morpholin-4-yl-3-phenylpropanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-3-phenylpropanoic acid is sourced from PubChem (CID 5191522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).