(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid

C11H23N7O3 — CID 175888302

IUPAC(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid
SMILES[N-]=[N+]=NNCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C11H23N7O3/c12-6-2-1-5-9(11(20)21)16-10(19)8(13)4-3-7-15-18-17-14/h8-9,15H,1-7,12-13H2,(H,16,19)(H,20,21)/t8-,9-/m0/s1
InChIKeyYIVIFUDXLUTUBE-IUCAKERBSA-N
MW301.35 g/mol
LogP-0.39
Rot. Bonds12

About (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid (PubChem CID 175888302) has the molecular formula C11H23N7O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid
PubChem CID175888302
Molecular FormulaC11H23N7O3
Molecular Weight301.35 g/mol
Exact Mass301.19
IUPAC Name(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid
SMILES[N-]=[N+]=NNCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C11H23N7O3/c12-6-2-1-5-9(11(20)21)16-10(19)8(13)4-3-7-15-18-17-14/h8-9,15H,1-7,12-13H2,(H,16,19)(H,20,21)/t8-,9-/m0/s1
InChIKeyYIVIFUDXLUTUBE-IUCAKERBSA-N
XLogP-0.39
TPSA179.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
CID 71340044
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 125032952
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
6-amino-2-[[3-carboxy-2-(2,6-diaminohexanoylamino)propanoyl]amino]hexanoic acid
CID 18411377
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
CID 18308557
6-amino-2-(2-diazohydrazinyl)hexanoic acid
CID 19973302
(2S)-6-amino-2-[[(2R)-2-amino-4-carboxybutanoyl]amino]hexanoic acid
CID 90943768
(2S)-6-amino-2-[[(2R)-2,3-diaminopropanoyl]amino]hexanoic acid;trihydrochloride
CID 11949492
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 177464935
6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoic acid
CID 19900079
4-amino-2-(2,6-diaminohexanoylamino)-4-oxobutanoic acid
CID 18218223
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 18306476

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid (CID 175888302) is (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid is [N-]=[N+]=NNCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid?
The InChIKey is YIVIFUDXLUTUBE-IUCAKERBSA-N. The full InChI is InChI=1S/C11H23N7O3/c12-6-2-1-5-9(11(20)21)16-10(19)8(13)4-3-7-15-18-17-14/h8-9,15H,1-7,12-13H2,(H,16,19)(H,20,21)/t8-,9-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid?
(2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid has a molecular weight of 301.35 g/mol, XLogP of -0.39, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[(2S)-2-amino-5-(2-diazohydrazinyl)pentanoyl]amino]hexanoic acid is sourced from PubChem (CID 175888302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).