(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol

C11H14N2O — CID 6951149

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol
SMILESN[C@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1
InChIKeyUDQCRUSSQAXPJY-VIFPVBQESA-N
MW190.25 g/mol
LogP1.03
Rot. Bonds3

About (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol

(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol (PubChem CID 6951149) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol
PubChem CID6951149
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol
SMILESN[C@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1
InChIKeyUDQCRUSSQAXPJY-VIFPVBQESA-N
XLogP1.03
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol (CID 6951149) is (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol is N[C@H](CO)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol?
The InChIKey is UDQCRUSSQAXPJY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol?
(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 6951149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).