2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid

C23H22N2O3 — CID 159573028

IUPAC2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H](Cc1ccccc1)C(=O)Cc1cccc(-c2ccncc2)c1
InChIInChI=1S/C23H22N2O3/c26-22(21(25-16-23(27)28)14-17-5-2-1-3-6-17)15-18-7-4-8-20(13-18)19-9-11-24-12-10-19/h1-13,21,25H,14-16H2,(H,27,28)/t21-/m0/s1
InChIKeyBPZFYAVEOLQGRB-NRFANRHFSA-N
MW374.44 g/mol
LogP3.15
Rot. Bonds9

About 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid

2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid (PubChem CID 159573028) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid
PubChem CID159573028
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H](Cc1ccccc1)C(=O)Cc1cccc(-c2ccncc2)c1
InChIInChI=1S/C23H22N2O3/c26-22(21(25-16-23(27)28)14-17-5-2-1-3-6-17)15-18-7-4-8-20(13-18)19-9-11-24-12-10-19/h1-13,21,25H,14-16H2,(H,27,28)/t21-/m0/s1
InChIKeyBPZFYAVEOLQGRB-NRFANRHFSA-N
XLogP3.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamate
CID 71490875
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
(3S)-4-phenyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-3-(1,3-thiazol-4-ylmethylamino)butan-2-one
CID 162056146
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
methyl 2-[[1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]acetate;dihydrochloride
CID 118105411

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid (CID 159573028) is 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid is O=C(O)CN[C@@H](Cc1ccccc1)C(=O)Cc1cccc(-c2ccncc2)c1.
What is the InChIKey of 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid?
The InChIKey is BPZFYAVEOLQGRB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(21(25-16-23(27)28)14-17-5-2-1-3-6-17)15-18-7-4-8-20(13-18)19-9-11-24-12-10-19/h1-13,21,25H,14-16H2,(H,27,28)/t21-/m0/s1.
What are the key properties of 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid?
2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid has a molecular weight of 374.44 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-3-oxo-1-phenyl-4-(3-pyridin-4-ylphenyl)butan-2-yl]amino]acetic acid is sourced from PubChem (CID 159573028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).