5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid

C8H18N4O2 — CID 89420379

IUPAC5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid
SMILESCN(C)N/C=N/C(CCCN)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-12(2)11-6-10-7(8(13)14)4-3-5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyWENLUILGARUFEL-UHFFFAOYSA-N
MW202.26 g/mol
LogP-0.73
Rot. Bonds7

About 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid

5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid (PubChem CID 89420379) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid
PubChem CID89420379
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid
SMILESCN(C)N/C=N/C(CCCN)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-12(2)11-6-10-7(8(13)14)4-3-5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyWENLUILGARUFEL-UHFFFAOYSA-N
XLogP-0.73
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid
CID 87169114
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
6-amino-2-(1-aminoethylideneamino)hexanoic acid
CID 18322413
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
CID 102061405
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
5-amino-2-propan-2-ylpentanoic acid
CID 104681083

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid?
The IUPAC name of 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid (CID 89420379) is 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid?
The canonical SMILES for 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid is CN(C)N/C=N/C(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid?
The InChIKey is WENLUILGARUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-12(2)11-6-10-7(8(13)14)4-3-5-9/h6-7H,3-5,9H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid?
5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid has a molecular weight of 202.26 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,2-dimethylhydrazinyl)methylideneamino]pentanoic acid is sourced from PubChem (CID 89420379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).