3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid

C14H21NO3 — CID 105057934

IUPAC3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(C)(CO)c1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-13(2,12(17)18)9-15-14(3,10-16)11-7-5-4-6-8-11/h4-8,15-16H,9-10H2,1-3H3,(H,17,18)
InChIKeyKLZLJNYHNFFEIS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.59
Rot. Bonds6

About 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid

3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 105057934) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID105057934
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(C)(CO)c1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-13(2,12(17)18)9-15-14(3,10-16)11-7-5-4-6-8-11/h4-8,15-16H,9-10H2,1-3H3,(H,17,18)
InChIKeyKLZLJNYHNFFEIS-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
N-carbamoyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]acetamide
CID 115619664
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
N-ethyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylacetamide
CID 113234324
3-anilino-2,2-dimethylpropanoic acid
CID 13028386
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,2-dimethylpropanoic acid
CID 107852533
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid (CID 105057934) is 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(C)(CO)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is KLZLJNYHNFFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-13(2,12(17)18)9-15-14(3,10-16)11-7-5-4-6-8-11/h4-8,15-16H,9-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid?
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 105057934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).