4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol

C16H18N2O2 — CID 171882250

IUPAC4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H18N2O2/c17-8-7-15(19)16(20)10-5-6-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-6,9,15-16,18-20H,7-8,17H2
InChIKeyUCVWPAAKUOZMQY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.06
Rot. Bonds4

About 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol

4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol (PubChem CID 171882250) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
PubChem CID171882250
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H18N2O2/c17-8-7-15(19)16(20)10-5-6-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-6,9,15-16,18-20H,7-8,17H2
InChIKeyUCVWPAAKUOZMQY-UHFFFAOYSA-N
XLogP2.06
TPSA82.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol (CID 171882250) is 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol is NCCC(O)C(O)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol?
The InChIKey is UCVWPAAKUOZMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-8-7-15(19)16(20)10-5-6-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-6,9,15-16,18-20H,7-8,17H2.
What are the key properties of 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol?
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol has a molecular weight of 270.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol is sourced from PubChem (CID 171882250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).