2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid

C14H21NO3 — CID 79789645

IUPAC2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(C)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-13(2,12(16)17)15-10-14(3,18)11-8-6-5-7-9-11/h5-9,15,18H,4,10H2,1-3H3,(H,16,17)
InChIKeyMJSQBFYQBURYLL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds6

About 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid

2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid (PubChem CID 79789645) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
PubChem CID79789645
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(C)(O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-13(2,12(16)17)15-10-14(3,18)11-8-6-5-7-9-11/h5-9,15,18H,4,10H2,1-3H3,(H,16,17)
InChIKeyMJSQBFYQBURYLL-UHFFFAOYSA-N
XLogP1.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
CID 79809198
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
3-[(2-hydroxy-2-phenylpropyl)amino]-3-methylpentan-1-ol
CID 114154109
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
2-methyl-2-[2-(2-methylphenoxy)ethylamino]butanoic acid
CID 79789369
2-[(2-bromophenyl)methylamino]-2-methylbutanoic acid
CID 78971162
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid (CID 79789645) is 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid is CCC(C)(NCC(C)(O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid?
The InChIKey is MJSQBFYQBURYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-13(2,12(16)17)15-10-14(3,18)11-8-6-5-7-9-11/h5-9,15,18H,4,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid?
2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79789645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).