[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid

C11H14N4O3 — CID 118096101

IUPAC[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid
SMILESC[C@H](CNC(=O)O)Oc1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H14N4O3/c1-6(4-13-11(16)17)18-10-3-9-7(2-8(10)12)5-14-15-9/h2-3,5-6,13H,4,12H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyBFDXPCDTOJESES-ZCFIWIBFSA-N
MW250.26 g/mol
LogP1.18
Rot. Bonds4

About [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid

[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid (PubChem CID 118096101) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid
PubChem CID118096101
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid
SMILESC[C@H](CNC(=O)O)Oc1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H14N4O3/c1-6(4-13-11(16)17)18-10-3-9-7(2-8(10)12)5-14-15-9/h2-3,5-6,13H,4,12H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyBFDXPCDTOJESES-ZCFIWIBFSA-N
XLogP1.18
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid?
The IUPAC name of [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid (CID 118096101) is [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid.
What is the SMILES notation for [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid?
The canonical SMILES for [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid is C[C@H](CNC(=O)O)Oc1cc2[nH]ncc2cc1N.
What is the InChIKey of [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid?
The InChIKey is BFDXPCDTOJESES-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6(4-13-11(16)17)18-10-3-9-7(2-8(10)12)5-14-15-9/h2-3,5-6,13H,4,12H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1.
What are the key properties of [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid?
[(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid has a molecular weight of 250.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(5-amino-1H-indazol-6-yl)oxy]propyl]carbamic acid is sourced from PubChem (CID 118096101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).