N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide

C14H20N2O3 — CID 16726081

IUPACN-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(Cc2ccccc2)[C@@H](CO)[C@@H]1O
InChIInChI=1S/C14H20N2O3/c1-10(18)15-12-8-16(13(9-17)14(12)19)7-11-5-3-2-4-6-11/h2-6,12-14,17,19H,7-9H2,1H3,(H,15,18)/t12-,13-,14+/m0/s1
InChIKeyFKQMFCGTFUYKQO-MELADBBJSA-N
MW264.32 g/mol
LogP-0.27
Rot. Bonds4

About N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide (PubChem CID 16726081) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
PubChem CID16726081
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(Cc2ccccc2)[C@@H](CO)[C@@H]1O
InChIInChI=1S/C14H20N2O3/c1-10(18)15-12-8-16(13(9-17)14(12)19)7-11-5-3-2-4-6-11/h2-6,12-14,17,19H,7-9H2,1H3,(H,15,18)/t12-,13-,14+/m0/s1
InChIKeyFKQMFCGTFUYKQO-MELADBBJSA-N
XLogP-0.27
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N1-benzyl-N3-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N3-methylmalonamide
CID 11749794
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
(2R,3R,4S)-2-[(benzylamino)methyl]pyrrolidine-3,4-diol
CID 10331137
(2R,3R,4R,5R)-5-(Benzylamino-methyl)-pyrrolidine-2,3,4-triol
CID 44398611
2-(Benzylamino-methyl)-pyrrolidine-3,4-diol
CID 44461894
1-Benzyl-5-hydroxy-4-methylimidazolidin-2-one
CID 13109362
N-[(3R,4S,5R)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 16726080
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 139527970
trans-3-Benzylamino-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 25219891
2-[((R)-1-Phenyl-ethylamino)-methyl]-pyrrolidine-3,4-diol
CID 44461885
N-Benzyl-N-(3,4-dihydroxy-pyrrolidin-2-ylmethyl)-acetamide
CID 44462135
N-benzyl-N-[[[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methylamino]methyl]acetamide
CID 71452507

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide (CID 16726081) is N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CN(Cc2ccccc2)[C@@H](CO)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is FKQMFCGTFUYKQO-MELADBBJSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(18)15-12-8-16(13(9-17)14(12)19)7-11-5-3-2-4-6-11/h2-6,12-14,17,19H,7-9H2,1H3,(H,15,18)/t12-,13-,14+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 264.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 16726081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).