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

C11H22N2O4 — CID 71485924

IUPAC(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22N2O4/c1-2-3-4-5-12-11(17)8-10(16)9(15)7(6-14)13-8/h7-10,13-16H,2-6H2,1H3,(H,12,17)/t7-,8+,9+,10-/m1/s1
InChIKeyQKDMGVVHKYSWEM-XFWSIPNHSA-N
MW246.31 g/mol
LogP-1.65
Rot. Bonds6

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

(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide (PubChem CID 71485924) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
PubChem CID71485924
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22N2O4/c1-2-3-4-5-12-11(17)8-10(16)9(15)7(6-14)13-8/h7-10,13-16H,2-6H2,1H3,(H,12,17)/t7-,8+,9+,10-/m1/s1
InChIKeyQKDMGVVHKYSWEM-XFWSIPNHSA-N
XLogP-1.65
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 71485510
(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 71485509
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol
CID 53316565
piperidine;3,4,5-trihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
CID 68620739
(2S,3S,4S,5R)-N-butyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 44538844
3-methyl-N-pentylpyrrolidine-2-carboxamide
CID 102776846
(2R,3R,4S,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide
CID 71485920
N-[(3S,4R,5R,6R)-2-butyl-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
CID 22867730
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-[[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]acetamide
CID 25181193
(2S,3S,4S)-3-hydroxy-4-(hydroxymethyl)azetidine-2-carboxylic acid
CID 71575304
N-octyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459721

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide (CID 71485924) is (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide is CCCCCNC(=O)[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
The InChIKey is QKDMGVVHKYSWEM-XFWSIPNHSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-2-3-4-5-12-11(17)8-10(16)9(15)7(6-14)13-8/h7-10,13-16H,2-6H2,1H3,(H,12,17)/t7-,8+,9+,10-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide?
(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -1.65, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N-pentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71485924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).