(Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide

C8H14N2O3 — CID 89131883

IUPAC(Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide
SMILESC[C@H]1O[C@@H](N/C=C\C(N)=O)CC1O
InChIInChI=1S/C8H14N2O3/c1-5-6(11)4-8(13-5)10-3-2-7(9)12/h2-3,5-6,8,10-11H,4H2,1H3,(H2,9,12)/b3-2-/t5-,6?,8-/m1/s1
InChIKeyATBJEGKBHRJOCV-RWJOMXDVSA-N
MW186.21 g/mol
LogP-0.93
Rot. Bonds3

About (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide

(Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide (PubChem CID 89131883) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide
PubChem CID89131883
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide
SMILESC[C@H]1O[C@@H](N/C=C\C(N)=O)CC1O
InChIInChI=1S/C8H14N2O3/c1-5-6(11)4-8(13-5)10-3-2-7(9)12/h2-3,5-6,8,10-11H,4H2,1H3,(H2,9,12)/b3-2-/t5-,6?,8-/m1/s1
InChIKeyATBJEGKBHRJOCV-RWJOMXDVSA-N
XLogP-0.93
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide?
The IUPAC name of (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide (CID 89131883) is (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide.
What is the SMILES notation for (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide?
The canonical SMILES for (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide is C[C@H]1O[C@@H](N/C=C\C(N)=O)CC1O.
What is the InChIKey of (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide?
The InChIKey is ATBJEGKBHRJOCV-RWJOMXDVSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5-6(11)4-8(13-5)10-3-2-7(9)12/h2-3,5-6,8,10-11H,4H2,1H3,(H2,9,12)/b3-2-/t5-,6?,8-/m1/s1.
What are the key properties of (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide?
(Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide has a molecular weight of 186.21 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(2R,5R)-4-hydroxy-5-methyloxolan-2-yl]amino]prop-2-enamide is sourced from PubChem (CID 89131883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).