(2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide

C15H30N2O4 — CID 71485920

IUPAC(2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N1CCCC
InChIInChI=1S/C15H30N2O4/c1-3-5-7-8-16-15(21)12-14(20)13(19)11(10-18)17(12)9-6-4-2/h11-14,18-20H,3-10H2,1-2H3,(H,16,21)/t11-,12-,13+,14-/m1/s1
InChIKeyFYJMVDRFIYVROF-YIYPIFLZSA-N
MW302.42 g/mol
LogP-0.14
Rot. Bonds9

About (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide

(2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide (PubChem CID 71485920) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
PubChem CID71485920
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name(2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N1CCCC
InChIInChI=1S/C15H30N2O4/c1-3-5-7-8-16-15(21)12-14(20)13(19)11(10-18)17(12)9-6-4-2/h11-14,18-20H,3-10H2,1-2H3,(H,16,21)/t11-,12-,13+,14-/m1/s1
InChIKeyFYJMVDRFIYVROF-YIYPIFLZSA-N
XLogP-0.14
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5S)-N-[5-(1-adamantylmethoxy)pentyl]-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 71484733
(2S,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 71485656
1-hexyl-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 75151866
(2R,3R,5S,6S)-1-butyl-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
CID 10586706
(2S,3S,4S,5S)-N,1-bis[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 71486193
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-methyl-1-(5-methylhexyl)piperidine-2-carboxamide
CID 73335247
1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
CID 75069816
(2S,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-N-octylpyrrolidine-1-carbothioamide
CID 134155281
(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
CID 71485924
N-butyl-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]-2-pyrrolidin-1-ylacetamide
CID 68620008
(2S,3S,4S,5R)-N-butyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 44538844
[1-[(2R,3S,4S,5R)-1-dodecyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-[(2R,3S,4S,5R)-1-dodecyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl] hydrogen carbonate
CID 57360024

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide (CID 71485920) is (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide is CCCCCNC(=O)[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N1CCCC.
What is the InChIKey of (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
The InChIKey is FYJMVDRFIYVROF-YIYPIFLZSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-3-5-7-8-16-15(21)12-14(20)13(19)11(10-18)17(12)9-6-4-2/h11-14,18-20H,3-10H2,1-2H3,(H,16,21)/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
(2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of -0.14, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71485920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).