(2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide

C8H17N3O2 — CID 30403493

IUPAC(2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide
SMILESC[C@H](NC[C@@H]1CCCO1)C(=O)NN
InChIInChI=1S/C8H17N3O2/c1-6(8(12)11-9)10-5-7-3-2-4-13-7/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyUGRSXLGOZPVWAG-BQBZGAKWSA-N
MW187.24 g/mol
LogP-0.87
Rot. Bonds4

About (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide

(2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide (PubChem CID 30403493) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide
PubChem CID30403493
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide
SMILESC[C@H](NC[C@@H]1CCCO1)C(=O)NN
InChIInChI=1S/C8H17N3O2/c1-6(8(12)11-9)10-5-7-3-2-4-13-7/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyUGRSXLGOZPVWAG-BQBZGAKWSA-N
XLogP-0.87
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide?
The IUPAC name of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide (CID 30403493) is (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide.
What is the SMILES notation for (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide?
The canonical SMILES for (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide is C[C@H](NC[C@@H]1CCCO1)C(=O)NN.
What is the InChIKey of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide?
The InChIKey is UGRSXLGOZPVWAG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(8(12)11-9)10-5-7-3-2-4-13-7/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide?
(2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide has a molecular weight of 187.24 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-oxolan-2-yl]methylamino]propanehydrazide is sourced from PubChem (CID 30403493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).