N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide

C15H22N2O4 — CID 118718743

IUPACN-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H22N2O4/c18-9-12-15(21)14(20)11(17-12)8-16-13(19)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-15,17-18,20-21H,6-9H2,(H,16,19)/t11-,12+,14+,15-/m0/s1
InChIKeyXXVVDFLXGRVOFK-MXYBEHONSA-N
MW294.35 g/mol
LogP-1.21
Rot. Bonds6

About N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide

N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide (PubChem CID 118718743) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide
PubChem CID118718743
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H22N2O4/c18-9-12-15(21)14(20)11(17-12)8-16-13(19)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-15,17-18,20-21H,6-9H2,(H,16,19)/t11-,12+,14+,15-/m0/s1
InChIKeyXXVVDFLXGRVOFK-MXYBEHONSA-N
XLogP-1.21
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-1.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide with MolForge

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Related Compounds

N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 15959266
N-[[(2R,3R,4R,5R)-1-decyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 15959278
(E)-N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 137632720
Mls003171156
CID 338072
(2S)-2-cyclopentyl-2-phenyl-N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-1-ium-2-yl]methyl]acetamide
CID 72199692
N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide
CID 71770782
Koshidacin A
CID 168297207
N-[(2S)-2,3-dihydroxypropyl]-4-phenylbutanamide
CID 169211006
L-phenylalanyl-L-hydroxyproline
CID 25227056
Streptopyrrolidine
CID 25033126
(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one
CID 11310032
2-[(2r,3s,4r,5r)-1-[3-(4-Fluorophenyl)propyl]-5-(Hydroxymethyl)-3,4-Bis(Oxidanyl)pyrrolidin-2-Yl]-N-Methyl-Ethanamide
CID 92044999

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide (CID 118718743) is N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is XXVVDFLXGRVOFK-MXYBEHONSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-9-12-15(21)14(20)11(17-12)8-16-13(19)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-15,17-18,20-21H,6-9H2,(H,16,19)/t11-,12+,14+,15-/m0/s1.
What are the key properties of N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide?
N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 294.35 g/mol, XLogP of -1.21, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 118718743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).