4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid

C14H17Cl2NO3 — CID 95563875

IUPAC4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO3/c15-11-4-3-10(8-12(11)16)13-9-17(6-7-20-13)5-1-2-14(18)19/h3-4,8,13H,1-2,5-7,9H2,(H,18,19)/t13-/m0/s1
InChIKeyVDYYGCIOYOMVKF-ZDUSSCGKSA-N
MW318.20 g/mol
LogP3.23
Rot. Bonds5

About 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid

4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid (PubChem CID 95563875) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
PubChem CID95563875
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H17Cl2NO3/c15-11-4-3-10(8-12(11)16)13-9-17(6-7-20-13)5-1-2-14(18)19/h3-4,8,13H,1-2,5-7,9H2,(H,18,19)/t13-/m0/s1
InChIKeyVDYYGCIOYOMVKF-ZDUSSCGKSA-N
XLogP3.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95180594

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid?
The IUPAC name of 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid (CID 95563875) is 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid is O=C(O)CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid?
The InChIKey is VDYYGCIOYOMVKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c15-11-4-3-10(8-12(11)16)13-9-17(6-7-20-13)5-1-2-14(18)19/h3-4,8,13H,1-2,5-7,9H2,(H,18,19)/t13-/m0/s1.
What are the key properties of 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid?
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid has a molecular weight of 318.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 95563875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).