3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide

C20H22N2O3 — CID 126842090

IUPAC3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide
SMILESNC(=O)CC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c21-18(23)14-19(24)22-13-7-12-17(22)20(25,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,25H,7,12-14H2,(H2,21,23)/t17-/m1/s1
InChIKeyBUJNTKSFXPLGAM-QGZVFWFLSA-N
MW338.41 g/mol
LogP1.79
Rot. Bonds5

About 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide

3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide (PubChem CID 126842090) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide
PubChem CID126842090
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide
SMILESNC(=O)CC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c21-18(23)14-19(24)22-13-7-12-17(22)20(25,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,25H,7,12-14H2,(H2,21,23)/t17-/m1/s1
InChIKeyBUJNTKSFXPLGAM-QGZVFWFLSA-N
XLogP1.79
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166414441
(2S)-N-[4-[2-[(1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxamide
CID 11526829
(2S)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-trimethylsilylhexan-1-one
CID 132541746
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
(Z)-3-[[4-[(2S)-2-[bis(3-chlorophenyl)-hydroxymethyl]pyrrolidin-1-yl]-4-oxobutyl]amino]prop-2-enamide
CID 70930422
[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone iodide
CID 11273081
(Z)-3-[[4-[(2S)-2-[hydroxy-bis(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]amino]prop-2-enamide
CID 70930397
ethyl (E)-3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-enoate
CID 139095804
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
3-hydroxy-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-3-phenylbutan-1-one
CID 110026114

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide?
The IUPAC name of 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide (CID 126842090) is 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide.
What is the SMILES notation for 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide?
The canonical SMILES for 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide is NC(=O)CC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide?
The InChIKey is BUJNTKSFXPLGAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-18(23)14-19(24)22-13-7-12-17(22)20(25,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,25H,7,12-14H2,(H2,21,23)/t17-/m1/s1.
What are the key properties of 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide?
3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide has a molecular weight of 338.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 126842090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).