2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid

C12H17NO3 — CID 62110373

IUPAC2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
SMILESCC(C)(O)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,16)8-13-10(11(14)15)9-6-4-3-5-7-9/h3-7,10,13,16H,8H2,1-2H3,(H,14,15)
InChIKeyHQRYXJDCJIGKJP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.17
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid

2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid (PubChem CID 62110373) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
PubChem CID62110373
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
SMILESCC(C)(O)CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-12(2,16)8-13-10(11(14)15)9-6-4-3-5-7-9/h3-7,10,13,16H,8H2,1-2H3,(H,14,15)
InChIKeyHQRYXJDCJIGKJP-UHFFFAOYSA-N
XLogP1.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
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-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid (CID 62110373) is 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid is CC(C)(O)CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid?
The InChIKey is HQRYXJDCJIGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,16)8-13-10(11(14)15)9-6-4-3-5-7-9/h3-7,10,13,16H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid?
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 62110373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).