(2R)-6-amino-2-azido-2-(methylamino)hexanoic acid

C7H15N5O2 — CID 126511114

IUPAC(2R)-6-amino-2-azido-2-(methylamino)hexanoic acid
SMILESCN[C@](CCCCN)(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H15N5O2/c1-10-7(6(13)14,11-12-9)4-2-3-5-8/h10H,2-5,8H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyVPGZELYMVDNQPT-SSDOTTSWSA-N
MW201.23 g/mol
LogP0.43
Rot. Bonds7

About (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid

(2R)-6-amino-2-azido-2-(methylamino)hexanoic acid (PubChem CID 126511114) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-azido-2-(methylamino)hexanoic acid
PubChem CID126511114
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name(2R)-6-amino-2-azido-2-(methylamino)hexanoic acid
SMILESCN[C@](CCCCN)(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H15N5O2/c1-10-7(6(13)14,11-12-9)4-2-3-5-8/h10H,2-5,8H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyVPGZELYMVDNQPT-SSDOTTSWSA-N
XLogP0.43
TPSA124.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
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

2,6-diamino-2-methylhexanoic acid
CID 3017540
2,8-diamino-2-methyloctanoic acid
CID 87814639
6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid
CID 173163481
(2R)-2-acetyl-2,6-diaminohexanoic acid
CID 22853479
(2R)-2,6-diamino-N-[2-(2-aminoethyldisulfanyl)ethyl]-2-azido-N-[(2R)-2,6-diamino-2-azidohexanoyl]hexanamide;dihydrochloride
CID 156791526
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
6-amino-2-(2-diazohydrazinyl)hexanoic acid
CID 19973302
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
decan-1-amine;2,2-dihydroxyoctadecanoic acid
CID 158461548
3-aminopropan-1-ol;2,2-dimethylpropanoic acid
CID 88610615
9-aminononanoic acid;9-azidononanoic acid
CID 159969853
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid?
The IUPAC name of (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid (CID 126511114) is (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid is CN[C@](CCCCN)(N=[N+]=[N-])C(=O)O.
What is the InChIKey of (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid?
The InChIKey is VPGZELYMVDNQPT-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15N5O2/c1-10-7(6(13)14,11-12-9)4-2-3-5-8/h10H,2-5,8H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid?
(2R)-6-amino-2-azido-2-(methylamino)hexanoic acid has a molecular weight of 201.23 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-azido-2-(methylamino)hexanoic acid is sourced from PubChem (CID 126511114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).