2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid

C13H19NO3 — CID 54994766

IUPAC2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
SMILESCC(C)N(CCO)C(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)14(8-9-15)12(13(16)17)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyGJDXZPTYHGISLD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid

2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid (PubChem CID 54994766) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
PubChem CID54994766
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
SMILESCC(C)N(CCO)C(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)14(8-9-15)12(13(16)17)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyGJDXZPTYHGISLD-UHFFFAOYSA-N
XLogP1.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
CID 63573273
ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
CID 106677068
(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 104899000
2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
CID 140872760
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
CID 66657977
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide
CID 84749659
2-[methanidyl(1-phenylethyl)amino]ethanol
CID 123296934

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid (CID 54994766) is 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid is CC(C)N(CCO)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid?
The InChIKey is GJDXZPTYHGISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)14(8-9-15)12(13(16)17)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid?
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid is sourced from PubChem (CID 54994766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).