2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid

C20H25NO4 — CID 22902564

IUPAC2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CC(O)c1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-20(2,19(24)25)21(13-17(22)15-9-5-3-6-10-15)14-18(23)16-11-7-4-8-12-16/h3-12,17-18,22-23H,13-14H2,1-2H3,(H,24,25)
InChIKeyUARFRBNWEVDWLR-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.62
Rot. Bonds8

About 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid

2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid (PubChem CID 22902564) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid
PubChem CID22902564
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CC(O)c1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-20(2,19(24)25)21(13-17(22)15-9-5-3-6-10-15)14-18(23)16-11-7-4-8-12-16/h3-12,17-18,22-23H,13-14H2,1-2H3,(H,24,25)
InChIKeyUARFRBNWEVDWLR-UHFFFAOYSA-N
XLogP2.62
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
2-(2-hydroxy-2-phenylethyl)sulfanyl-2-methylpropanoic acid
CID 81230756
N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten
CID 59694940
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide
CID 10757720
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
5-phenylpentane-1,2,5-triol
CID 82849671
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
2-[amino(2-methylpropyl)amino]-1-phenylethanol
CID 21361101

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid (CID 22902564) is 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid is CC(C)(C(=O)O)N(CC(O)c1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid?
The InChIKey is UARFRBNWEVDWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,19(24)25)21(13-17(22)15-9-5-3-6-10-15)14-18(23)16-11-7-4-8-12-16/h3-12,17-18,22-23H,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid?
2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid has a molecular weight of 343.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxy-2-phenylethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 22902564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).