(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid

C10H17N7O3 — CID 164574815

IUPAC(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
SMILES[N-]=[N+]=NCCCC[C@H](NC(=O)CCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H17N7O3/c11-16-13-6-2-1-4-8(10(19)20)15-9(18)5-3-7-14-17-12/h8H,1-7H2,(H,15,18)(H,19,20)/t8-/m0/s1
InChIKeyMZDRAARJOSWGML-QMMMGPOBSA-N
MW283.29 g/mol
LogP2.13
Rot. Bonds11

About (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid

(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid (PubChem CID 164574815) has the molecular formula C10H17N7O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
PubChem CID164574815
Molecular FormulaC10H17N7O3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
SMILES[N-]=[N+]=NCCCC[C@H](NC(=O)CCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H17N7O3/c11-16-13-6-2-1-4-8(10(19)20)15-9(18)5-3-7-14-17-12/h8H,1-7H2,(H,15,18)(H,19,20)/t8-/m0/s1
InChIKeyMZDRAARJOSWGML-QMMMGPOBSA-N
XLogP2.13
TPSA163.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
(2S)-6-azido-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 156694813
(2S)-5-amino-2-[[(1S)-4-[[(1S)-4-azido-1-carboxybutyl]amino]-1-carboxy-4-oxobutyl]amino]-5-oxopentanoic acid
CID 154608077
(2S)-2-(5-azidopentanoylamino)-6-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoylamino]hexanoic acid
CID 118615065
2-[2-(4-azidobutanoylamino)propanoylamino]pentanedioic acid
CID 122616995
(2S)-2-(4-azidobutanoylamino)propanoic acid
CID 168749789
3-[(2-amino-2-oxoethyl)disulfanyl]-2-(4-azidobutanoylamino)propanoic acid
CID 159199182
(2S)-6-azido-2-[(4-formylbenzoyl)amino]hexanoic acid
CID 90302912
(2S)-2-(5-azidopentanoylamino)-6-(1-hydroxyethylamino)hexanamide
CID 139364815
6-azido-N-propan-2-ylhexanamide
CID 151413918
6-isothiocyanato-2-(tetradecanoylamino)hexanoic acid
CID 169290786
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963

Frequently Asked Questions

What is the IUPAC name of (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid?
The IUPAC name of (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid (CID 164574815) is (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid?
The canonical SMILES for (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid is [N-]=[N+]=NCCCC[C@H](NC(=O)CCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid?
The InChIKey is MZDRAARJOSWGML-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N7O3/c11-16-13-6-2-1-4-8(10(19)20)15-9(18)5-3-7-14-17-12/h8H,1-7H2,(H,15,18)(H,19,20)/t8-/m0/s1.
What are the key properties of (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid?
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.13, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid is sourced from PubChem (CID 164574815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).