N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide

C11H22N2O3 — CID 11852352

IUPACN-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide
SMILESCCCCCC(=O)NC[C@H]1NC[C@H](O)[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-5-10(15)13-6-8-11(16)9(14)7-12-8/h8-9,11-12,14,16H,2-7H2,1H3,(H,13,15)/t8-,9+,11+/m1/s1
InChIKeyCJOBNWNXSJXQJM-YWVKMMECSA-N
MW230.31 g/mol
LogP-0.62
Rot. Bonds6

About N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide

N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide (PubChem CID 11852352) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide
PubChem CID11852352
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide
SMILESCCCCCC(=O)NC[C@H]1NC[C@H](O)[C@H]1O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-5-10(15)13-6-8-11(16)9(14)7-12-8/h8-9,11-12,14,16H,2-7H2,1H3,(H,13,15)/t8-,9+,11+/m1/s1
InChIKeyCJOBNWNXSJXQJM-YWVKMMECSA-N
XLogP-0.62
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide?
The IUPAC name of N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide (CID 11852352) is N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide.
What is the SMILES notation for N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide?
The canonical SMILES for N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide is CCCCCC(=O)NC[C@H]1NC[C@H](O)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide?
The InChIKey is CJOBNWNXSJXQJM-YWVKMMECSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-5-10(15)13-6-8-11(16)9(14)7-12-8/h8-9,11-12,14,16H,2-7H2,1H3,(H,13,15)/t8-,9+,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide?
N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide has a molecular weight of 230.31 g/mol, XLogP of -0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]hexanamide is sourced from PubChem (CID 11852352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).