N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide

C9H19N3O2 — CID 90733355

IUPACN'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide
SMILESCCCCC(=O)NNC(=O)[C@H](C)NC
InChIInChI=1S/C9H19N3O2/c1-4-5-6-8(13)11-12-9(14)7(2)10-3/h7,10H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyMIRYUDZZGZBQEE-ZETCQYMHSA-N
MW201.27 g/mol
LogP-0.07
Rot. Bonds5

About N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide

N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide (PubChem CID 90733355) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide
PubChem CID90733355
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide
SMILESCCCCC(=O)NNC(=O)[C@H](C)NC
InChIInChI=1S/C9H19N3O2/c1-4-5-6-8(13)11-12-9(14)7(2)10-3/h7,10H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyMIRYUDZZGZBQEE-ZETCQYMHSA-N
XLogP-0.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide?
The IUPAC name of N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide (CID 90733355) is N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide.
What is the SMILES notation for N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide?
The canonical SMILES for N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide is CCCCC(=O)NNC(=O)[C@H](C)NC.
What is the InChIKey of N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide?
The InChIKey is MIRYUDZZGZBQEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-5-6-8(13)11-12-9(14)7(2)10-3/h7,10H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1.
What are the key properties of N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide?
N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide has a molecular weight of 201.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(methylamino)propanoyl]pentanehydrazide is sourced from PubChem (CID 90733355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).