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

C18H26N2O5 — CID 90044646

IUPACN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@]1(C(=O)CCc2ccccc2)N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H26N2O5/c1-2-15(23)19-11-18(17(25)16(24)13(10-21)20-18)14(22)9-8-12-6-4-3-5-7-12/h3-7,13,16-17,20-21,24-25H,2,8-11H2,1H3,(H,19,23)/t13-,16-,17+,18+/m1/s1
InChIKeyWTLNGFBKNZUUOT-ZSGPHXLJSA-N
MW350.42 g/mol
LogP-0.86
Rot. Bonds8

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

N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide (PubChem CID 90044646) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide
PubChem CID90044646
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@]1(C(=O)CCc2ccccc2)N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H26N2O5/c1-2-15(23)19-11-18(17(25)16(24)13(10-21)20-18)14(22)9-8-12-6-4-3-5-7-12/h3-7,13,16-17,20-21,24-25H,2,8-11H2,1H3,(H,19,23)/t13-,16-,17+,18+/m1/s1
InChIKeyWTLNGFBKNZUUOT-ZSGPHXLJSA-N
XLogP-0.86
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)pyrrolidin-2-yl]acetamide
CID 90044676
2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]pyrrolidin-2-yl]-N-ethylacetamide
CID 90045070
N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(3-phenylpropyl)pyrrolidin-3-yl]propanamide
CID 90044016
N-[(3S,4R,5R,6R)-5-fluoro-4-hydroxy-6-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 90002141
methanamine;1-phenylpentan-3-one
CID 167492251
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 90005133
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenylpropanamide
CID 43594407
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide (CID 90044646) is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide is CCC(=O)NC[C@@]1(C(=O)CCc2ccccc2)N[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is WTLNGFBKNZUUOT-ZSGPHXLJSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-2-15(23)19-11-18(17(25)16(24)13(10-21)20-18)14(22)9-8-12-6-4-3-5-7-12/h3-7,13,16-17,20-21,24-25H,2,8-11H2,1H3,(H,19,23)/t13-,16-,17+,18+/m1/s1.
What are the key properties of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide?
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of -0.86, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 90044646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).