2-(2,2-dimethylbutylamino)-2-phenylacetic acid

C14H21NO2 — CID 103462757

IUPAC2-(2,2-dimethylbutylamino)-2-phenylacetic acid
SMILESCCC(C)(C)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)10-15-12(13(16)17)11-8-6-5-7-9-11/h5-9,12,15H,4,10H2,1-3H3,(H,16,17)
InChIKeyKYHWWMAZDOOPPJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds6

About 2-(2,2-dimethylbutylamino)-2-phenylacetic acid

2-(2,2-dimethylbutylamino)-2-phenylacetic acid (PubChem CID 103462757) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,2-dimethylbutylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,2-dimethylbutylamino)-2-phenylacetic acid
PubChem CID103462757
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,2-dimethylbutylamino)-2-phenylacetic acid
SMILESCCC(C)(C)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-14(2,3)10-15-12(13(16)17)11-8-6-5-7-9-11/h5-9,12,15H,4,10H2,1-3H3,(H,16,17)
InChIKeyKYHWWMAZDOOPPJ-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
CID 81411047
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutylamino)-2-phenylacetic acid?
The IUPAC name of 2-(2,2-dimethylbutylamino)-2-phenylacetic acid (CID 103462757) is 2-(2,2-dimethylbutylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2,2-dimethylbutylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(2,2-dimethylbutylamino)-2-phenylacetic acid is CCC(C)(C)CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2,2-dimethylbutylamino)-2-phenylacetic acid?
The InChIKey is KYHWWMAZDOOPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(2,3)10-15-12(13(16)17)11-8-6-5-7-9-11/h5-9,12,15H,4,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,2-dimethylbutylamino)-2-phenylacetic acid?
2-(2,2-dimethylbutylamino)-2-phenylacetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutylamino)-2-phenylacetic acid is sourced from PubChem (CID 103462757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).