(2R)-2,6-diamino-3-azidohexanoic acid

C6H13N5O2 — CID 140570098

IUPAC(2R)-2,6-diamino-3-azidohexanoic acid
SMILES[N-]=[N+]=NC(CCCN)[C@@H](N)C(=O)O
InChIInChI=1S/C6H13N5O2/c7-3-1-2-4(10-11-9)5(8)6(12)13/h4-5H,1-3,7-8H2,(H,12,13)/t4?,5-/m1/s1
InChIKeyHHKSZWQLTOVVTI-BRJRFNKRSA-N
MW187.20 g/mol
LogP-0.18
Rot. Bonds6

About (2R)-2,6-diamino-3-azidohexanoic acid

(2R)-2,6-diamino-3-azidohexanoic acid (PubChem CID 140570098) has the molecular formula C6H13N5O2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2R)-2,6-diamino-3-azidohexanoic acid.

Molecular Properties

Compound Name(2R)-2,6-diamino-3-azidohexanoic acid
PubChem CID140570098
Molecular FormulaC6H13N5O2
Molecular Weight187.20 g/mol
Exact Mass187.11
IUPAC Name(2R)-2,6-diamino-3-azidohexanoic acid
SMILES[N-]=[N+]=NC(CCCN)[C@@H](N)C(=O)O
InChIInChI=1S/C6H13N5O2/c7-3-1-2-4(10-11-9)5(8)6(12)13/h4-5H,1-3,7-8H2,(H,12,13)/t4?,5-/m1/s1
InChIKeyHHKSZWQLTOVVTI-BRJRFNKRSA-N
XLogP-0.18
TPSA138.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-3-azidohexanoic acid?
The IUPAC name of (2R)-2,6-diamino-3-azidohexanoic acid (CID 140570098) is (2R)-2,6-diamino-3-azidohexanoic acid.
What is the SMILES notation for (2R)-2,6-diamino-3-azidohexanoic acid?
The canonical SMILES for (2R)-2,6-diamino-3-azidohexanoic acid is [N-]=[N+]=NC(CCCN)[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2,6-diamino-3-azidohexanoic acid?
The InChIKey is HHKSZWQLTOVVTI-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H13N5O2/c7-3-1-2-4(10-11-9)5(8)6(12)13/h4-5H,1-3,7-8H2,(H,12,13)/t4?,5-/m1/s1.
What are the key properties of (2R)-2,6-diamino-3-azidohexanoic acid?
(2R)-2,6-diamino-3-azidohexanoic acid has a molecular weight of 187.20 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-3-azidohexanoic acid is sourced from PubChem (CID 140570098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).