N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

C14H18N2O3 — CID 66291291

IUPACN-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C14H18N2O3/c1-10(14(19)16-8-7-12(17)9-16)15-13(18)11-5-3-2-4-6-11/h2-6,10,12,17H,7-9H2,1H3,(H,15,18)/t10?,12-/m1/s1
InChIKeyNSMLTVGZBIYKIY-TVKKRMFBSA-N
MW262.31 g/mol
LogP0.40
Rot. Bonds3

About N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 66291291) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID66291291
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C14H18N2O3/c1-10(14(19)16-8-7-12(17)9-16)15-13(18)11-5-3-2-4-6-11/h2-6,10,12,17H,7-9H2,1H3,(H,15,18)/t10?,12-/m1/s1
InChIKeyNSMLTVGZBIYKIY-TVKKRMFBSA-N
XLogP0.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 62370951
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
4-(N'-hydroxycarbamimidoyl)-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 91584771
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 66291291) is N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is NSMLTVGZBIYKIY-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(14(19)16-8-7-12(17)9-16)15-13(18)11-5-3-2-4-6-11/h2-6,10,12,17H,7-9H2,1H3,(H,15,18)/t10?,12-/m1/s1.
What are the key properties of N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?
N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 262.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 66291291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).