2-(2-chlorophenyl)-2-(diethylamino)propanoic acid

C13H18ClNO2 — CID 43803614

IUPAC2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-15(5-2)13(3,12(16)17)10-8-6-7-9-11(10)14/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyQJICCEPNMGRMDQ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid

2-(2-chlorophenyl)-2-(diethylamino)propanoic acid (PubChem CID 43803614) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
PubChem CID43803614
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
SMILESCCN(CC)C(C)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-15(5-2)13(3,12(16)17)10-8-6-7-9-11(10)14/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyQJICCEPNMGRMDQ-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid
CID 117049468
2-(diethylamino)-2-(2,6-difluorophenyl)propanoic acid
CID 43803617
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62823161
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
CID 43803580
2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid
CID 114992783
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821190
2-(diethylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 43803729
2-(2-chlorophenyl)sulfanyl-2-methylbutanoic acid
CID 114994454
2-(2-chlorophenyl)propan-2-ol
CID 12759846

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid (CID 43803614) is 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid is CCN(CC)C(C)(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid?
The InChIKey is QJICCEPNMGRMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-15(5-2)13(3,12(16)17)10-8-6-7-9-11(10)14/h6-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid?
2-(2-chlorophenyl)-2-(diethylamino)propanoic acid has a molecular weight of 255.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(diethylamino)propanoic acid is sourced from PubChem (CID 43803614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).