2-(3-methylmorpholin-4-yl)-2-phenylacetic acid

C13H17NO3 — CID 43542338

IUPAC2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
SMILESCC1COCCN1C(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10-9-17-8-7-14(10)12(13(15)16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)
InChIKeyKUTDDLQDYXLHFT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds3

About 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid

2-(3-methylmorpholin-4-yl)-2-phenylacetic acid (PubChem CID 43542338) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
PubChem CID43542338
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
SMILESCC1COCCN1C(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10-9-17-8-7-14(10)12(13(15)16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)
InChIKeyKUTDDLQDYXLHFT-UHFFFAOYSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid
CID 83825429
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
CID 67455232
2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-phenylacetic acid
CID 114087291
N-[2-(3-methylmorpholin-4-yl)-2-phenylethyl]cyclopropanamine
CID 55074560
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(3-methylmorpholin-4-yl)pentanoic acid
CID 83041172
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
2-(2,4-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 83977943
2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114593984
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid (CID 43542338) is 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid is CC1COCCN1C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid?
The InChIKey is KUTDDLQDYXLHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-9-17-8-7-14(10)12(13(15)16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid?
2-(3-methylmorpholin-4-yl)-2-phenylacetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-2-phenylacetic acid is sourced from PubChem (CID 43542338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).