4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid

C14H20ClNO3 — CID 82352266

IUPAC4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCN(CCO)C(CC(=O)O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-2-16(7-8-17)13(10-14(18)19)9-11-3-5-12(15)6-4-11/h3-6,13,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyOKZAZBZCJHJEQX-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.04
Rot. Bonds8

About 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid

4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid (PubChem CID 82352266) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid
PubChem CID82352266
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCN(CCO)C(CC(=O)O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-2-16(7-8-17)13(10-14(18)19)9-11-3-5-12(15)6-4-11/h3-6,13,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyOKZAZBZCJHJEQX-UHFFFAOYSA-N
XLogP2.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-4-(4-propylphenyl)butanoic acid
CID 82352486
3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82352334
4-(4-chlorophenyl)-3-(ethylamino)butanoic acid
CID 82350545
3-(diethylamino)-4-(4-ethoxyphenyl)butanoic acid
CID 82352344
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955
3-(diethylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 82352356
3-(diethylamino)-4-(4-propoxyphenyl)butanoic acid
CID 82352352
3-(dibutylamino)-4-phenylbutanoic acid
CID 82352183
3-[2-hydroxyethyl(methyl)amino]-4-(4-methoxyphenyl)butanoic acid
CID 82352335
(2S)-2-[(4-chlorophenyl)methyl]butanedioic acid
CID 911262
4-chlorobenzoic acid;2-(diethylamino)ethanol;hydrochloride
CID 21150232

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid?
The IUPAC name of 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid (CID 82352266) is 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid?
The canonical SMILES for 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid is CCN(CCO)C(CC(=O)O)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid?
The InChIKey is OKZAZBZCJHJEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-2-16(7-8-17)13(10-14(18)19)9-11-3-5-12(15)6-4-11/h3-6,13,17H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid?
4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid has a molecular weight of 285.77 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]butanoic acid is sourced from PubChem (CID 82352266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).