(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid

C13H16ClNO3 — CID 125152344

IUPAC(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyODMQXPJZWVHOGT-CABZTGNLSA-N
MW269.73 g/mol
LogP2.19
Rot. Bonds3

About (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid

(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid (PubChem CID 125152344) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
PubChem CID125152344
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyODMQXPJZWVHOGT-CABZTGNLSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95317625
2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
CID 57242341
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid (CID 125152344) is (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid is C[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2Cl)C1.
What is the InChIKey of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid?
The InChIKey is ODMQXPJZWVHOGT-CABZTGNLSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9(13(16)17)15-6-7-18-12(8-15)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8H2,1H3,(H,16,17)/t9-,12-/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid?
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 125152344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).