N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide

C15H28N2O2 — CID 176612728

IUPACN-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C[C@]1(N)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H28N2O2/c1-7-15(16)13(17-11(6)18)12(8-9(2)3)19-14(15)10(4)5/h7,9-10,12-14H,1,8,16H2,2-6H3,(H,17,18)/t12-,13+,14+,15-/m1/s1
InChIKeyBORCUGLAZHGOCU-CBBWQLFWSA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds5

About N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide

N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (PubChem CID 176612728) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
PubChem CID176612728
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide
SMILESC=C[C@]1(N)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H28N2O2/c1-7-15(16)13(17-11(6)18)12(8-9(2)3)19-14(15)10(4)5/h7,9-10,12-14H,1,8,16H2,2-6H3,(H,17,18)/t12-,13+,14+,15-/m1/s1
InChIKeyBORCUGLAZHGOCU-CBBWQLFWSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide (CID 176612728) is N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is C=C[C@]1(N)[C@H](C(C)C)O[C@H](CC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
The InChIKey is BORCUGLAZHGOCU-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-15(16)13(17-11(6)18)12(8-9(2)3)19-14(15)10(4)5/h7,9-10,12-14H,1,8,16H2,2-6H3,(H,17,18)/t12-,13+,14+,15-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide?
N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S)-4-amino-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl]acetamide is sourced from PubChem (CID 176612728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).