2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid

C9H19N3O2 — CID 143252601

IUPAC2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid
SMILESCC(C)=NNCCCCC(N)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-7(2)12-11-6-4-3-5-8(10)9(13)14/h8,11H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyOPMCNEOVGKXYTO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds7

About 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid

2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid (PubChem CID 143252601) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid
PubChem CID143252601
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid
SMILESCC(C)=NNCCCCC(N)C(=O)O
InChIInChI=1S/C9H19N3O2/c1-7(2)12-11-6-4-3-5-8(10)9(13)14/h8,11H,3-6,10H2,1-2H3,(H,13,14)
InChIKeyOPMCNEOVGKXYTO-UHFFFAOYSA-N
XLogP0.55
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
actinium;(2S)-2-amino-6-[[(E)-N-hydroxy-C-methylcarbonimidoyl]amino]hexanoic acid;dihydrochloride
CID 172932438
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970
2,6-diaminoheptanedioic acid
CID 865
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
(2S)-2-amino-6-(methylamino)hexanoic acid;isocyanic acid
CID 118377535

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid?
The IUPAC name of 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid (CID 143252601) is 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid?
The canonical SMILES for 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid is CC(C)=NNCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid?
The InChIKey is OPMCNEOVGKXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)12-11-6-4-3-5-8(10)9(13)14/h8,11H,3-6,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid?
2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-propan-2-ylidenehydrazinyl)hexanoic acid is sourced from PubChem (CID 143252601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).