4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid

C15H21NO3 — CID 124573817

IUPAC4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
SMILESC[C@@]1(c2ccccc2)CN(CCCC(=O)O)CCO1
InChIInChI=1S/C15H21NO3/c1-15(13-6-3-2-4-7-13)12-16(10-11-19-15)9-5-8-14(17)18/h2-4,6-7H,5,8-12H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyGDANFYSCVVLCQQ-HNNXBMFYSA-N
MW263.34 g/mol
LogP2.10
Rot. Bonds5

About 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid

4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid (PubChem CID 124573817) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
PubChem CID124573817
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid
SMILESC[C@@]1(c2ccccc2)CN(CCCC(=O)O)CCO1
InChIInChI=1S/C15H21NO3/c1-15(13-6-3-2-4-7-13)12-16(10-11-19-15)9-5-8-14(17)18/h2-4,6-7H,5,8-12H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyGDANFYSCVVLCQQ-HNNXBMFYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
7-hydroxy-1-(2-methyl-2-phenylmorpholin-4-yl)octan-1-one
CID 126835034
2-methyl-N-(4-methylsulfanylbutyl)-2-phenylmorpholine-4-carboxamide
CID 71970349
N-(3-methoxypropyl)-N,2-dimethyl-2-phenylmorpholine-4-carboxamide
CID 91651334
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
tert-butyl 3-[2-methyl-2-(4-octoxyphenyl)morpholin-4-yl]propanoate
CID 67032995
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
tert-butyl 3-[2-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoate
CID 67033099
(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126840002

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid?
The IUPAC name of 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid (CID 124573817) is 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid is C[C@@]1(c2ccccc2)CN(CCCC(=O)O)CCO1.
What is the InChIKey of 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid?
The InChIKey is GDANFYSCVVLCQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(13-6-3-2-4-7-13)12-16(10-11-19-15)9-5-8-14(17)18/h2-4,6-7H,5,8-12H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid?
4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methyl-2-phenylmorpholin-4-yl]butanoic acid is sourced from PubChem (CID 124573817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).