[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid

C11H12BrN3O2 — CID 71223546

IUPAC[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
SMILESNC(CNC(=O)O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H12BrN3O2/c12-6-1-2-10-7(3-6)8(4-14-10)9(13)5-15-11(16)17/h1-4,9,14-15H,5,13H2,(H,16,17)
InChIKeyRINBXRMUADSTMP-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.20
Rot. Bonds3

About [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid

[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid (PubChem CID 71223546) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
PubChem CID71223546
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
SMILESNC(CNC(=O)O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H12BrN3O2/c12-6-1-2-10-7(3-6)8(4-14-10)9(13)5-15-11(16)17/h1-4,9,14-15H,5,13H2,(H,16,17)
InChIKeyRINBXRMUADSTMP-UHFFFAOYSA-N
XLogP2.20
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
methyl (3S)-3-amino-3-(5-bromo-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 171248440
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid?
The IUPAC name of [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid (CID 71223546) is [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid.
What is the SMILES notation for [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid?
The canonical SMILES for [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid is NC(CNC(=O)O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid?
The InChIKey is RINBXRMUADSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-6-1-2-10-7(3-6)8(4-14-10)9(13)5-15-11(16)17/h1-4,9,14-15H,5,13H2,(H,16,17).
What are the key properties of [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid?
[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid has a molecular weight of 298.14 g/mol, XLogP of 2.20, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid is sourced from PubChem (CID 71223546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).