(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide

C8H15N3O2 — CID 136641268

IUPAC(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C8H15N3O2/c9-7(10)3-4-11-8-2-1-6(5-12)13-8/h3-4,6,8,11-12H,1-2,5H2,(H3,9,10)/b4-3-/t6-,8+/m0/s1
InChIKeyQXSWGMBEIZPPSG-YRNGGQEVSA-N
MW185.23 g/mol
LogP-0.48
Rot. Bonds4

About (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide

(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide (PubChem CID 136641268) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide
PubChem CID136641268
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\N[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C8H15N3O2/c9-7(10)3-4-11-8-2-1-6(5-12)13-8/h3-4,6,8,11-12H,1-2,5H2,(H3,9,10)/b4-3-/t6-,8+/m0/s1
InChIKeyQXSWGMBEIZPPSG-YRNGGQEVSA-N
XLogP-0.48
TPSA91.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide?
The IUPAC name of (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide (CID 136641268) is (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide?
The canonical SMILES for (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide is [H]/N=C(N)/C=C\N[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide?
The InChIKey is QXSWGMBEIZPPSG-YRNGGQEVSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-7(10)3-4-11-8-2-1-6(5-12)13-8/h3-4,6,8,11-12H,1-2,5H2,(H3,9,10)/b4-3-/t6-,8+/m0/s1.
What are the key properties of (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide?
(Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide has a molecular weight of 185.23 g/mol, XLogP of -0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]amino]prop-2-enimidamide is sourced from PubChem (CID 136641268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).