2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid

C15H16N2O2 — CID 103258955

IUPAC2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
SMILESC[C@@H](NC(C(=O)O)c1ccccc1)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11(12-7-9-16-10-8-12)17-14(15(18)19)13-5-3-2-4-6-13/h2-11,14,17H,1H3,(H,18,19)/t11-,14?/m1/s1
InChIKeyHFHQMFDQUOLZOP-YNODCEANSA-N
MW256.31 g/mol
LogP2.56
Rot. Bonds5

About 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid

2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid (PubChem CID 103258955) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
PubChem CID103258955
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
SMILESC[C@@H](NC(C(=O)O)c1ccccc1)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-11(12-7-9-16-10-8-12)17-14(15(18)19)13-5-3-2-4-6-13/h2-11,14,17H,1H3,(H,18,19)/t11-,14?/m1/s1
InChIKeyHFHQMFDQUOLZOP-YNODCEANSA-N
XLogP2.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
3-methyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258930
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
methyl (2R)-2-(2-fluorophenyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetate
CID 99820464
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid?
The IUPAC name of 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid (CID 103258955) is 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid is C[C@@H](NC(C(=O)O)c1ccccc1)c1ccncc1.
What is the InChIKey of 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid?
The InChIKey is HFHQMFDQUOLZOP-YNODCEANSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(12-7-9-16-10-8-12)17-14(15(18)19)13-5-3-2-4-6-13/h2-11,14,17H,1H3,(H,18,19)/t11-,14?/m1/s1.
What are the key properties of 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid?
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid is sourced from PubChem (CID 103258955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).