4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide

C9H19N3O2 — CID 30031558

IUPAC4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide
SMILESNNC(=O)CCCNC[C@@H]1CCCO1
InChIInChI=1S/C9H19N3O2/c10-12-9(13)4-1-5-11-7-8-3-2-6-14-8/h8,11H,1-7,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOHTUZSMVSVEPBV-QMMMGPOBSA-N
MW201.27 g/mol
LogP-0.47
Rot. Bonds6

About 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide

4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide (PubChem CID 30031558) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide.

Molecular Properties

Compound Name4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide
PubChem CID30031558
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide
SMILESNNC(=O)CCCNC[C@@H]1CCCO1
InChIInChI=1S/C9H19N3O2/c10-12-9(13)4-1-5-11-7-8-3-2-6-14-8/h8,11H,1-7,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOHTUZSMVSVEPBV-QMMMGPOBSA-N
XLogP-0.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
The IUPAC name of 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide (CID 30031558) is 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide.
What is the SMILES notation for 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
The canonical SMILES for 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide is NNC(=O)CCCNC[C@@H]1CCCO1.
What is the InChIKey of 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
The InChIKey is OHTUZSMVSVEPBV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-12-9(13)4-1-5-11-7-8-3-2-6-14-8/h8,11H,1-7,10H2,(H,12,13)/t8-/m0/s1.
What are the key properties of 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide?
4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide has a molecular weight of 201.27 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-oxolan-2-yl]methylamino]butanehydrazide is sourced from PubChem (CID 30031558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).