2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid

C14H21NO3 — CID 119139225

IUPAC2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid
SMILESCCN(CC(O)c1ccc(C)cc1)C(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-15(11(3)14(17)18)9-13(16)12-7-5-10(2)6-8-12/h5-8,11,13,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyDVKVWJRKEXSQJJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.82
Rot. Bonds6

About 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid

2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid (PubChem CID 119139225) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid
PubChem CID119139225
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid
SMILESCCN(CC(O)c1ccc(C)cc1)C(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-15(11(3)14(17)18)9-13(16)12-7-5-10(2)6-8-12/h5-8,11,13,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyDVKVWJRKEXSQJJ-UHFFFAOYSA-N
XLogP1.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
(2S)-2-(diethylamino)propanoic acid
CID 18664197
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 46007541
3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722268
butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119334132
2-(N-butylanilino)-1-(4-methylphenyl)ethanol
CID 64585032
(2S)-2-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 67639025
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid?
The IUPAC name of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid (CID 119139225) is 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid is CCN(CC(O)c1ccc(C)cc1)C(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid?
The InChIKey is DVKVWJRKEXSQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15(11(3)14(17)18)9-13(16)12-7-5-10(2)6-8-12/h5-8,11,13,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid?
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 119139225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).