2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid

C16H25NO2 — CID 82344685

IUPAC2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
SMILESCC(C)(C)CC(C)(C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-16(4,5)17-13(14(18)19)12-9-7-6-8-10-12/h6-10,13,17H,11H2,1-5H3,(H,18,19)
InChIKeyQUKBMYSDCXPPGK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.62
Rot. Bonds5

About 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid

2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid (PubChem CID 82344685) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
PubChem CID82344685
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
SMILESCC(C)(C)CC(C)(C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-15(2,3)11-16(4,5)17-13(14(18)19)12-9-7-6-8-10-12/h6-10,13,17H,11H2,1-5H3,(H,18,19)
InChIKeyQUKBMYSDCXPPGK-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate
CID 103601305
2-(2-methylbut-3-yn-2-ylamino)-2-phenylacetic acid
CID 103252062
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
CID 81411047
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
CID 43788256
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid (CID 82344685) is 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid is CC(C)(C)CC(C)(C)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid?
The InChIKey is QUKBMYSDCXPPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2,3)11-16(4,5)17-13(14(18)19)12-9-7-6-8-10-12/h6-10,13,17H,11H2,1-5H3,(H,18,19).
What are the key properties of 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid?
2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid has a molecular weight of 263.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid is sourced from PubChem (CID 82344685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).