2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid

C10H13N5O2 — CID 104822618

IUPAC2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid
SMILESCc1ccc(C(NCCN=[N+]=[N-])C(=O)O)cn1
InChIInChI=1S/C10H13N5O2/c1-7-2-3-8(6-13-7)9(10(16)17)12-4-5-14-15-11/h2-3,6,9,12H,4-5H2,1H3,(H,16,17)
InChIKeyJTMSHAQBHGKGAX-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.42
Rot. Bonds6

About 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid

2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid (PubChem CID 104822618) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid
PubChem CID104822618
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid
SMILESCc1ccc(C(NCCN=[N+]=[N-])C(=O)O)cn1
InChIInChI=1S/C10H13N5O2/c1-7-2-3-8(6-13-7)9(10(16)17)12-4-5-14-15-11/h2-3,6,9,12H,4-5H2,1H3,(H,16,17)
InChIKeyJTMSHAQBHGKGAX-UHFFFAOYSA-N
XLogP1.42
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.42
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

2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
CID 104822494
2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid
CID 66189205
2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189404
2-(2-azidoethylamino)-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81144933
2-(2-azidoethylamino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81436762
2-(2-azidoethylamino)-2-(3-fluorophenyl)acetic acid
CID 66190399
2-(2-azidoethylamino)-2-(3-bromo-4-methoxyphenyl)acetic acid
CID 66188630
2-(3-azidopropylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189497
2-(3-azidopropylamino)-2-(4-bromophenyl)acetic acid
CID 66190101
2-(3-azidopropylamino)-2-(4-iodophenyl)acetic acid
CID 114283036
ethyl 2-(2-azidoethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 66190428
2-(2-azidoethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 66188628

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid (CID 104822618) is 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid is Cc1ccc(C(NCCN=[N+]=[N-])C(=O)O)cn1.
What is the InChIKey of 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid?
The InChIKey is JTMSHAQBHGKGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7-2-3-8(6-13-7)9(10(16)17)12-4-5-14-15-11/h2-3,6,9,12H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid?
2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid has a molecular weight of 235.25 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 104822618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).