3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide

C14H20N2O3 — CID 128971410

IUPAC3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C14H20N2O3/c1-19-13-6-12(9-17)16(8-13)7-10-3-2-4-11(5-10)14(15)18/h2-5,12-13,17H,6-9H2,1H3,(H2,15,18)/t12-,13+/m0/s1
InChIKeyCZKTWEBOABPPBY-QWHCGFSZSA-N
MW264.32 g/mol
LogP0.37
Rot. Bonds5

About 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide

3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide (PubChem CID 128971410) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
PubChem CID128971410
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C14H20N2O3/c1-19-13-6-12(9-17)16(8-13)7-10-3-2-4-11(5-10)14(15)18/h2-5,12-13,17H,6-9H2,1H3,(H2,15,18)/t12-,13+/m0/s1
InChIKeyCZKTWEBOABPPBY-QWHCGFSZSA-N
XLogP0.37
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4R)-4-methoxy-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979762
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-[3-(imidazol-1-ylmethyl)phenyl]methanone
CID 128984884
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128984749
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 128985160
[(2S,4R)-1-(1H-indazol-6-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
CID 128979786
2-[4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]phenyl]benzonitrile
CID 167966270
2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 128982918
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272
1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426422

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide (CID 128971410) is 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide is CO[C@@H]1C[C@@H](CO)N(Cc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide?
The InChIKey is CZKTWEBOABPPBY-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-6-12(9-17)16(8-13)7-10-3-2-4-11(5-10)14(15)18/h2-5,12-13,17H,6-9H2,1H3,(H2,15,18)/t12-,13+/m0/s1.
What are the key properties of 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide?
3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 128971410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).