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

C13H17NO3 — CID 24840333

IUPAC3-morpholin-4-yl-2-phenylpropanoic acid
SMILESO=C(O)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(16)12(11-4-2-1-3-5-11)10-14-6-8-17-9-7-14/h1-5,12H,6-10H2,(H,15,16)
InChIKeyBKDMEABBPCDADM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.19
Rot. Bonds4

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

3-morpholin-4-yl-2-phenylpropanoic acid (PubChem CID 24840333) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-2-phenylpropanoic acid
PubChem CID24840333
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-morpholin-4-yl-2-phenylpropanoic acid
SMILESO=C(O)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(16)12(11-4-2-1-3-5-11)10-14-6-8-17-9-7-14/h1-5,12H,6-10H2,(H,15,16)
InChIKeyBKDMEABBPCDADM-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Dexmethylphenidate
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Butamirate
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Butetamate
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Adiphenine Hydrochloride
CID 5763
Drofenine hydrochloride
CID 92806
Drofenine
CID 3166

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-phenylpropanoic acid?
The IUPAC name of 3-morpholin-4-yl-2-phenylpropanoic acid (CID 24840333) is 3-morpholin-4-yl-2-phenylpropanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-2-phenylpropanoic acid?
The canonical SMILES for 3-morpholin-4-yl-2-phenylpropanoic acid is O=C(O)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-morpholin-4-yl-2-phenylpropanoic acid?
The InChIKey is BKDMEABBPCDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12(11-4-2-1-3-5-11)10-14-6-8-17-9-7-14/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of 3-morpholin-4-yl-2-phenylpropanoic acid?
3-morpholin-4-yl-2-phenylpropanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-phenylpropanoic acid is sourced from PubChem (CID 24840333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).