(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid

C14H20ClNO3 — CID 98822940

IUPAC(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid
SMILESCCN(CC)[C@H](Cc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C14H20ClNO3/c1-4-16(5-2)12(14(17)18)9-10-8-11(15)6-7-13(10)19-3/h6-8,12H,4-5,9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyZXMVEGLMGBASHP-GFCCVEGCSA-N
MW285.77 g/mol
LogP2.69
Rot. Bonds7

About (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid

(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid (PubChem CID 98822940) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid
PubChem CID98822940
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid
SMILESCCN(CC)[C@H](Cc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C14H20ClNO3/c1-4-16(5-2)12(14(17)18)9-10-8-11(15)6-7-13(10)19-3/h6-8,12H,4-5,9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyZXMVEGLMGBASHP-GFCCVEGCSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
3-[(5-chloro-2-methoxyphenyl)methyl]pentan-2-one
CID 60999984
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-one
CID 63548794
3-(5-chloro-2-methoxyphenyl)-2-methyl-1-phenylpropan-1-one
CID 104844961
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
(2R)-3-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylpropanoic acid
CID 100547414
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(dimethylamino)propanoic acid
CID 100554122
1-(5-chloro-2-methoxyphenyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79053243

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid?
The IUPAC name of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid (CID 98822940) is (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid?
The canonical SMILES for (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid is CCN(CC)[C@H](Cc1cc(Cl)ccc1OC)C(=O)O.
What is the InChIKey of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid?
The InChIKey is ZXMVEGLMGBASHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-16(5-2)12(14(17)18)9-10-8-11(15)6-7-13(10)19-3/h6-8,12H,4-5,9H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid?
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid has a molecular weight of 285.77 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5-chloro-2-methoxyphenyl)-2-(diethylamino)propanoic acid is sourced from PubChem (CID 98822940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).