azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid

C8H21N3O3 — CID 158383672

IUPACazane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid
SMILESCC(C)C[C@H](NN)[C@@H](O)CC(=O)O.N
InChIInChI=1S/C8H18N2O3.H3N/c1-5(2)3-6(10-9)7(11)4-8(12)13;/h5-7,10-11H,3-4,9H2,1-2H3,(H,12,13);1H3/t6-,7-;/m0./s1
InChIKeyLGXDVDOVIPYKPF-LEUCUCNGSA-N
MW207.27 g/mol
LogP-0.14
Rot. Bonds6

About azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid

azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid (PubChem CID 158383672) has the molecular formula C8H21N3O3 and a molecular weight of 207.27 g/mol. Its IUPAC name is azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid.

Molecular Properties

Compound Nameazane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid
PubChem CID158383672
Molecular FormulaC8H21N3O3
Molecular Weight207.27 g/mol
Exact Mass207.16
IUPAC Nameazane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid
SMILESCC(C)C[C@H](NN)[C@@H](O)CC(=O)O.N
InChIInChI=1S/C8H18N2O3.H3N/c1-5(2)3-6(10-9)7(11)4-8(12)13;/h5-7,10-11H,3-4,9H2,1-2H3,(H,12,13);1H3/t6-,7-;/m0./s1
InChIKeyLGXDVDOVIPYKPF-LEUCUCNGSA-N
XLogP-0.14
TPSA130.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3-hydroxy-4-(hydroxymethylamino)-6-methylheptanoic acid
CID 172551344
(3S,4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoic acid
CID 88665450
(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
(3R,4R)-3-hydroxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 12759308
azane;(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
CID 135397151
hydrazine;3-methylbutanoic acid
CID 175217584
3-methylbutanoic acid
CID 20849036
[(2S,3S)-1-carboxy-2-hydroxy-5-methylhexan-3-yl]azanide;osmium(1+)
CID 175753932
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-fluoro-4-hydroxypentanoic acid
CID 22986894
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
3-hydroxy-5-methoxy-4-methyl-5-oxopentanoic acid
CID 88655903

Frequently Asked Questions

What is the IUPAC name of azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid?
The IUPAC name of azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid (CID 158383672) is azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid.
What is the SMILES notation for azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid?
The canonical SMILES for azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid is CC(C)C[C@H](NN)[C@@H](O)CC(=O)O.N.
What is the InChIKey of azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid?
The InChIKey is LGXDVDOVIPYKPF-LEUCUCNGSA-N. The full InChI is InChI=1S/C8H18N2O3.H3N/c1-5(2)3-6(10-9)7(11)4-8(12)13;/h5-7,10-11H,3-4,9H2,1-2H3,(H,12,13);1H3/t6-,7-;/m0./s1.
What are the key properties of azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid?
azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid has a molecular weight of 207.27 g/mol, XLogP of -0.14, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3S,4S)-4-hydrazinyl-3-hydroxy-6-methylheptanoic acid is sourced from PubChem (CID 158383672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).