2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid

C20H27NO3 — CID 174731482

IUPAC2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid
SMILESO=C(O)C(NC(CO)c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27NO3/c22-11-17(14-4-2-1-3-5-14)21-19(20(23)24)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-19,21-22H,6-11H2,(H,23,24)
InChIKeyYAZRIMFTUBBJSA-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid

2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid (PubChem CID 174731482) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid
PubChem CID174731482
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid
SMILESO=C(O)C(NC(CO)c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27NO3/c22-11-17(14-4-2-1-3-5-14)21-19(20(23)24)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-19,21-22H,6-11H2,(H,23,24)
InChIKeyYAZRIMFTUBBJSA-UHFFFAOYSA-N
XLogP2.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 174731347
(2S)-2-(1-bicyclo[2.2.2]octanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetic acid
CID 169283803
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid
CID 77276673
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
CID 7573924
2-adamantyl(phenyl)methanamine
CID 81096130
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid?
The IUPAC name of 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid (CID 174731482) is 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid is O=C(O)C(NC(CO)c1ccccc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid?
The InChIKey is YAZRIMFTUBBJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-11-17(14-4-2-1-3-5-14)21-19(20(23)24)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-19,21-22H,6-11H2,(H,23,24).
What are the key properties of 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid?
2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid has a molecular weight of 329.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid is sourced from PubChem (CID 174731482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).