2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid

C14H21NO3 — CID 62375672

IUPAC2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(C)(O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)15(9-13(16)17)10-14(3,18)12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,16,17)
InChIKeyQKORWFBNOGMWLZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.69
Rot. Bonds6

About 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid

2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid (PubChem CID 62375672) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid
PubChem CID62375672
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(C)(O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)15(9-13(16)17)10-14(3,18)12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,16,17)
InChIKeyQKORWFBNOGMWLZ-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
3-[(2-hydroxy-2-phenylpropyl)-methylamino]propanoic acid
CID 62373211
2-phenyl-1-[piperidin-3-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106637768
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
CID 55068286
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
CID 60838463
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839143
2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-propan-2-ylamino]acetic acid
CID 11281066

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid (CID 62375672) is 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC(C)(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid?
The InChIKey is QKORWFBNOGMWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)15(9-13(16)17)10-14(3,18)12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid?
2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylpropyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 62375672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).