2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid

C13H19NO3 — CID 81411047

IUPAC2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
SMILESCC(C)(CO)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,9-15)8-14-11(12(16)17)10-6-4-3-5-7-10/h3-7,11,14-15H,8-9H2,1-2H3,(H,16,17)
InChIKeyNMUQKXFPXCQQEU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.42
Rot. Bonds6

About 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid

2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid (PubChem CID 81411047) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
PubChem CID81411047
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
SMILESCC(C)(CO)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,9-15)8-14-11(12(16)17)10-6-4-3-5-7-10/h3-7,11,14-15H,8-9H2,1-2H3,(H,16,17)
InChIKeyNMUQKXFPXCQQEU-UHFFFAOYSA-N
XLogP1.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
CID 55036831
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid (CID 81411047) is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid is CC(C)(CO)CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid?
The InChIKey is NMUQKXFPXCQQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,9-15)8-14-11(12(16)17)10-6-4-3-5-7-10/h3-7,11,14-15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid?
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 81411047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).