(2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide

C11H12BrN3O — CID 24801997

IUPAC(2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide
SMILESC[C@H](Nc1c[nH]c2ccc(Br)cc12)C(N)=O
InChIInChI=1S/C11H12BrN3O/c1-6(11(13)16)15-10-5-14-9-3-2-7(12)4-8(9)10/h2-6,14-15H,1H3,(H2,13,16)/t6-/m0/s1
InChIKeyGSCBOMXJHPEIKH-LURJTMIESA-N
MW282.14 g/mol
LogP2.22
Rot. Bonds3

About (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide

(2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide (PubChem CID 24801997) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide
PubChem CID24801997
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name(2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide
SMILESC[C@H](Nc1c[nH]c2ccc(Br)cc12)C(N)=O
InChIInChI=1S/C11H12BrN3O/c1-6(11(13)16)15-10-5-14-9-3-2-7(12)4-8(9)10/h2-6,14-15H,1H3,(H2,13,16)/t6-/m0/s1
InChIKeyGSCBOMXJHPEIKH-LURJTMIESA-N
XLogP2.22
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide?
The IUPAC name of (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide (CID 24801997) is (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide.
What is the SMILES notation for (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide?
The canonical SMILES for (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide is C[C@H](Nc1c[nH]c2ccc(Br)cc12)C(N)=O.
What is the InChIKey of (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide?
The InChIKey is GSCBOMXJHPEIKH-LURJTMIESA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-6(11(13)16)15-10-5-14-9-3-2-7(12)4-8(9)10/h2-6,14-15H,1H3,(H2,13,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide?
(2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide has a molecular weight of 282.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-1H-indol-3-yl)amino]propanamide is sourced from PubChem (CID 24801997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).