[(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone

C20H24N2O3 — CID 56903772

IUPAC[(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone
SMILESCN(CCO)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@@H]1O
InChIInChI=1S/C20H24N2O3/c1-21(11-12-23)18-13-22(14-19(18)24)20(25)17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,18-19,23-24H,11-14H2,1H3/t18-,19-/m0/s1
InChIKeyACBFOZJSIKQQOM-OALUTQOASA-N
MW340.42 g/mol
LogP1.46
Rot. Bonds5

About [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone

[(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 56903772) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID56903772
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone
SMILESCN(CCO)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@@H]1O
InChIInChI=1S/C20H24N2O3/c1-21(11-12-23)18-13-22(14-19(18)24)20(25)17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,18-19,23-24H,11-14H2,1H3/t18-,19-/m0/s1
InChIKeyACBFOZJSIKQQOM-OALUTQOASA-N
XLogP1.46
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone with MolForge

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Related Compounds

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CID 179340
Nolasiban
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CID 97130
Asimadoline hydrochloride
CID 9846614
N-[2-[[(2S,3R)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxypentan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10139782
N-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxypentan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10183362
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 10316732
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(3-phenylphenyl)methanone
CID 24817881
3-(4-Fluoro-3-methyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269856
3-(4-Fluoro-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269859
1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3-phenyl-1H-pyridin-2-one
CID 44269872
3-(4-Acetyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269901

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone (CID 56903772) is [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone is CN(CCO)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@@H]1O.
What is the InChIKey of [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is ACBFOZJSIKQQOM-OALUTQOASA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21(11-12-23)18-13-22(14-19(18)24)20(25)17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,18-19,23-24H,11-14H2,1H3/t18-,19-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone?
[(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 340.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-4-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 56903772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).