2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid

C11H14N4O3 — CID 66190099

IUPAC2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
SMILES[N-]=[N+]=NCCCNC(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H14N4O3/c12-15-14-6-2-5-13-10(11(17)18)8-3-1-4-9(16)7-8/h1,3-4,7,10,13,16H,2,5-6H2,(H,17,18)
InChIKeyOXSNFAQFRQRYNZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.81
Rot. Bonds7

About 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid

2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid (PubChem CID 66190099) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
PubChem CID66190099
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
SMILES[N-]=[N+]=NCCCNC(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H14N4O3/c12-15-14-6-2-5-13-10(11(17)18)8-3-1-4-9(16)7-8/h1,3-4,7,10,13,16H,2,5-6H2,(H,17,18)
InChIKeyOXSNFAQFRQRYNZ-UHFFFAOYSA-N
XLogP1.81
TPSA118.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.81
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-(3-azidopropylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189497
2-(2-azidoethylamino)-2-(3-fluorophenyl)acetic acid
CID 66190399
2-(3-azidopropylamino)-2-(4-bromophenyl)acetic acid
CID 66190101
2-(3-azidopropylamino)-2-(4-iodophenyl)acetic acid
CID 114283036
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 66189085
2-(3-azidopropylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 66188903
2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189404
2-(3-azidopropylamino)-2-(3-chloro-5-fluorophenyl)acetic acid
CID 114453718
2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
CID 66166388
2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid
CID 66189205
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 84746836
2-(2-azidoethylamino)-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81144933

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid (CID 66190099) is 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid is [N-]=[N+]=NCCCNC(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid?
The InChIKey is OXSNFAQFRQRYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-15-14-6-2-5-13-10(11(17)18)8-3-1-4-9(16)7-8/h1,3-4,7,10,13,16H,2,5-6H2,(H,17,18).
What are the key properties of 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid?
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid has a molecular weight of 250.26 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid is sourced from PubChem (CID 66190099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).