2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol

C16H22N2O2 — CID 66168801

IUPAC2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
SMILESCC(O)(CO)CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(20,10-19)9-17-14-8-4-6-12-11-5-2-3-7-13(11)18-15(12)14/h2-3,5,7,14,17-20H,4,6,8-10H2,1H3
InChIKeyHSWQWUKVGNEKRP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol

2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol (PubChem CID 66168801) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
PubChem CID66168801
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
SMILESCC(O)(CO)CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(20,10-19)9-17-14-8-4-6-12-11-5-2-3-7-13(11)18-15(12)14/h2-3,5,7,14,17-20H,4,6,8-10H2,1H3
InChIKeyHSWQWUKVGNEKRP-UHFFFAOYSA-N
XLogP1.88
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol?
The IUPAC name of 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol (CID 66168801) is 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol?
The canonical SMILES for 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol is CC(O)(CO)CNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol?
The InChIKey is HSWQWUKVGNEKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(20,10-19)9-17-14-8-4-6-12-11-5-2-3-7-13(11)18-15(12)14/h2-3,5,7,14,17-20H,4,6,8-10H2,1H3.
What are the key properties of 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol?
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol has a molecular weight of 274.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol is sourced from PubChem (CID 66168801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).