(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol

C11H13BrN2O — CID 121221172

IUPAC(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
SMILESN[C@H](CO)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2O/c12-8-1-2-11-10(4-8)7(5-14-11)3-9(13)6-15/h1-2,4-5,9,14-15H,3,6,13H2/t9-/m0/s1
InChIKeySXXJDUYQXWXAEI-VIFPVBQESA-N
MW269.14 g/mol
LogP1.79
Rot. Bonds3

About (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol

(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol (PubChem CID 121221172) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
PubChem CID121221172
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
SMILESN[C@H](CO)Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2O/c12-8-1-2-11-10(4-8)7(5-14-11)3-9(13)6-15/h1-2,4-5,9,14-15H,3,6,13H2/t9-/m0/s1
InChIKeySXXJDUYQXWXAEI-VIFPVBQESA-N
XLogP1.79
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
CID 66932814
3-amino-4-(5-bromo-1H-indol-3-yl)butan-2-one;ethane
CID 171065115
(2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(5-methyl-1H-indol-3-yl)propan-1-ol
CID 159635316
3-(5-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 58572126
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
CID 175064494
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 68979143
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol (CID 121221172) is (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol is N[C@H](CO)Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
The InChIKey is SXXJDUYQXWXAEI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-8-1-2-11-10(4-8)7(5-14-11)3-9(13)6-15/h1-2,4-5,9,14-15H,3,6,13H2/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol?
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol has a molecular weight of 269.14 g/mol, XLogP of 1.79, 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-(5-bromo-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 121221172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).