3-(2-phenylmorpholin-4-yl)propanoic acid

C13H17NO3 — CID 119134654

IUPAC3-(2-phenylmorpholin-4-yl)propanoic acid
SMILESO=C(O)CCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C13H17NO3/c15-13(16)6-7-14-8-9-17-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyZJYYPOZYHDEANT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds4

About 3-(2-phenylmorpholin-4-yl)propanoic acid

3-(2-phenylmorpholin-4-yl)propanoic acid (PubChem CID 119134654) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(2-phenylmorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-phenylmorpholin-4-yl)propanoic acid
PubChem CID119134654
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(2-phenylmorpholin-4-yl)propanoic acid
SMILESO=C(O)CCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C13H17NO3/c15-13(16)6-7-14-8-9-17-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyZJYYPOZYHDEANT-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(benzenesulfonyl)phenyl]morpholin-4-yl]propanoic acid
CID 56599119
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
CID 56597204
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
3-[2-[4-(2-methylphenyl)sulfonylphenyl]morpholin-4-yl]propanoic acid
CID 56599118
3-[2-[4-(4-methylphenyl)sulfanylphenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653953
3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 56597202
3-[(2R)-2-[4-[(2-chlorophenyl)methylsulfanyl]phenyl]morpholin-4-yl]propanoic acid
CID 124564163
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
3-[2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]morpholin-4-yl]propanoic acid
CID 51001962

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmorpholin-4-yl)propanoic acid?
The IUPAC name of 3-(2-phenylmorpholin-4-yl)propanoic acid (CID 119134654) is 3-(2-phenylmorpholin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-phenylmorpholin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-phenylmorpholin-4-yl)propanoic acid is O=C(O)CCN1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-(2-phenylmorpholin-4-yl)propanoic acid?
The InChIKey is ZJYYPOZYHDEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)6-7-14-8-9-17-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of 3-(2-phenylmorpholin-4-yl)propanoic acid?
3-(2-phenylmorpholin-4-yl)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmorpholin-4-yl)propanoic acid is sourced from PubChem (CID 119134654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).