2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid

C14H21NO3 — CID 61446531

IUPAC2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
SMILESCCCCN(CCO)C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-3-9-15(10-11-16)13(14(17)18)12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11H2,1H3,(H,17,18)
InChIKeyARRKLPSUDRMSNI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid

2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid (PubChem CID 61446531) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
PubChem CID61446531
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
SMILESCCCCN(CCO)C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-3-9-15(10-11-16)13(14(17)18)12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11H2,1H3,(H,17,18)
InChIKeyARRKLPSUDRMSNI-UHFFFAOYSA-N
XLogP1.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-2-phenylacetohydrazide
CID 55213465
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid (CID 61446531) is 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid is CCCCN(CCO)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid?
The InChIKey is ARRKLPSUDRMSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-9-15(10-11-16)13(14(17)18)12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11H2,1H3,(H,17,18).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid?
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61446531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).