2-(3,3-dimethylbutylamino)-2-phenylacetic acid

C14H21NO2 — CID 62108848

IUPAC2-(3,3-dimethylbutylamino)-2-phenylacetic acid
SMILESCC(C)(C)CCNC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)9-10-15-12(13(16)17)11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyIMDCXPAZDIYLHK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds5

About 2-(3,3-dimethylbutylamino)-2-phenylacetic acid

2-(3,3-dimethylbutylamino)-2-phenylacetic acid (PubChem CID 62108848) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutylamino)-2-phenylacetic acid
PubChem CID62108848
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3,3-dimethylbutylamino)-2-phenylacetic acid
SMILESCC(C)(C)CCNC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)9-10-15-12(13(16)17)11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyIMDCXPAZDIYLHK-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
CID 81411047
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
2-(4-hydroxypentylamino)-2-phenylacetic acid
CID 106136977
2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
CID 82344685

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylamino)-2-phenylacetic acid?
The IUPAC name of 2-(3,3-dimethylbutylamino)-2-phenylacetic acid (CID 62108848) is 2-(3,3-dimethylbutylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(3,3-dimethylbutylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(3,3-dimethylbutylamino)-2-phenylacetic acid is CC(C)(C)CCNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(3,3-dimethylbutylamino)-2-phenylacetic acid?
The InChIKey is IMDCXPAZDIYLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)9-10-15-12(13(16)17)11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,3-dimethylbutylamino)-2-phenylacetic acid?
2-(3,3-dimethylbutylamino)-2-phenylacetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylamino)-2-phenylacetic acid is sourced from PubChem (CID 62108848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).