(2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide

C9H19N3O2 — CID 30403669

IUPAC(2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide
SMILESCC[C@@H](NC[C@@H]1CCCO1)C(=O)NN
InChIInChI=1S/C9H19N3O2/c1-2-8(9(13)12-10)11-6-7-4-3-5-14-7/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyMBYLIXSFMVQKAY-JGVFFNPUSA-N
MW201.27 g/mol
LogP-0.48
Rot. Bonds5

About (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide

(2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide (PubChem CID 30403669) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide
PubChem CID30403669
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide
SMILESCC[C@@H](NC[C@@H]1CCCO1)C(=O)NN
InChIInChI=1S/C9H19N3O2/c1-2-8(9(13)12-10)11-6-7-4-3-5-14-7/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyMBYLIXSFMVQKAY-JGVFFNPUSA-N
XLogP-0.48
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.48
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 (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
The IUPAC name of (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide (CID 30403669) is (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide.
What is the SMILES notation for (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
The canonical SMILES for (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide is CC[C@@H](NC[C@@H]1CCCO1)C(=O)NN.
What is the InChIKey of (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
The InChIKey is MBYLIXSFMVQKAY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-8(9(13)12-10)11-6-7-4-3-5-14-7/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
(2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide has a molecular weight of 201.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide is sourced from PubChem (CID 30403669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).