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

C14H18ClNO3 — CID 124564562

IUPAC4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO3/c15-12-5-2-1-4-11(12)13-10-16(8-9-19-13)7-3-6-14(17)18/h1-2,4-5,13H,3,6-10H2,(H,17,18)/t13-/m0/s1
InChIKeyFKGKURIWKBDKQF-ZDUSSCGKSA-N
MW283.75 g/mol
LogP2.58
Rot. Bonds5

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

4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid (PubChem CID 124564562) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
PubChem CID124564562
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO3/c15-12-5-2-1-4-11(12)13-10-16(8-9-19-13)7-3-6-14(17)18/h1-2,4-5,13H,3,6-10H2,(H,17,18)/t13-/m0/s1
InChIKeyFKGKURIWKBDKQF-ZDUSSCGKSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
CID 95341250
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-[2-(benzenesulfonyl)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66654276
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
(2S)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304387
(2R)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304386
1-[3-[2-(2-methylphenyl)morpholin-4-yl]propyl]piperidine-4-carboxylic acid
CID 138003930

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid?
The IUPAC name of 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid (CID 124564562) is 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid is O=C(O)CCCN1CCO[C@H](c2ccccc2Cl)C1.
What is the InChIKey of 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid?
The InChIKey is FKGKURIWKBDKQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-5-2-1-4-11(12)13-10-16(8-9-19-13)7-3-6-14(17)18/h1-2,4-5,13H,3,6-10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid?
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 124564562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).